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Dimitrios A. Papaconstantopoulos - Publications

Affiliations: 
Computational and Data Sciences George Mason University, Washington, DC 
Area:
Density Functional Theory, Augmented Plane Wave, First-principles computations
Website:
http://cds.gmu.edu/node/36
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Year Citation  Score
2020 Chang P, Silayi S, Papaconstantopoulos D, Mehl M. Pressure-induced high-temperature superconductivity in hypothetical H3X (X=As, Se, Br, Sb, Te and I) in the H3S structure with Im3¯m symmetry Journal of Physics and Chemistry of Solids. 139: 109315. DOI: 10.1016/J.Jpcs.2019.109315  0.384
2020 Silayi S, Chang P, Papaconstantopoulos D. Electronic structure and dynamics analysis of the Cu-Ag binary alloy by a tight-binding parametrization Computational Materials Science. 173: 109454. DOI: 10.1016/J.Commatsci.2019.109454  0.4
2018 Silayi S, Papaconstantopoulos DA, Mehl MJ. A tight-binding molecular dynamics study of the noble metals Cu, Ag and Au Computational Materials Science. 146: 278-286. DOI: 10.1016/J.Commatsci.2018.01.046  0.416
2016 Fan F, Papaconstantopoulos D, Mehl M, Klein B. High-temperature superconductivity at high pressures for H3Si P1−, H3P S1−, and H3Cl S1− Journal of Physics and Chemistry of Solids. 99: 105-110. DOI: 10.1016/J.Jpcs.2016.08.007  0.42
2016 Durgavich J, Sayed S, Papaconstantopoulos D. Extension of the NRL tight-binding method to include f orbitals and applications in Th, Ac, La and Yb Computational Materials Science. 112: 395-404. DOI: 10.1016/J.Commatsci.2015.11.001  0.767
2015 Papaconstantopoulos DA, Klein BM, Mehl MJ, Pickett WE. Cubic H3S around 200 GPa: An atomic hydrogen superconductor stabilized by sulfur Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.184511  0.436
2015 Koufos AP, Papaconstantopoulos DA. Pressure-Induced Insulator to Metal Transition and Superconductivity of the Inert Gases Journal of Superconductivity and Novel Magnetism. 28: 3525-3533. DOI: 10.1007/S10948-015-3213-4  0.401
2014 Koufos AP, Papaconstantopoulos DA, Mehl MJ. First-principles study of the electronic structure of iron-selenium: Implications for electron-phonon superconductivity Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.035150  0.462
2014 McGrady JW, Papaconstantopoulos DA, Mehl MJ. Tight-Binding study of Boron structures Journal of Physics and Chemistry of Solids. 75: 1106-1112. DOI: 10.1016/J.Jpcs.2014.05.003  0.374
2013 Li J, Ciani A, Gayles J, Papaconstantopoulos DA, Kioussis N, Grein C, Aqariden F. Non-orthogonal tight-binding model for tellurium and selenium Philosophical Magazine. 93: 3216-3230. DOI: 10.1080/14786435.2013.801569  0.412
2013 Shabaev A, Hoang K, Papaconstantopoulos DA, Mehl MJ, Kioussis N. Tight-binding studies of bulk properties and hydrogen vacancies in KBH 4 Computational Materials Science. 79: 888-895. DOI: 10.1016/J.Commatsci.2013.06.055  0.375
2013 Koufos AP, Papaconstantopoulos DA. Electronic structure of francium International Journal of Quantum Chemistry. 113: 2070-2077. DOI: 10.1002/Qua.24466  0.473
2012 Sha XW, Economou EN, Papaconstantopoulos DA, Pederson MR, Mehl MJ, Kafesaki M. Possible molecular bottom-up approach to optical metamaterials Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.115404  0.707
2011 Sha XW, Papaconstantopoulos DA, Mehl MJ, Bernstein N. Tight-binding study of hcp Zn and Cd Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.184109  0.671
2010 Khojandi AI, Papaconstantopoulos DA. Electronic structure calculations and determination of related properties for radium Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.155121  0.423
2010 Papaconstantopoulos DA, Mehl MJ, Johannes MD. Tight-binding Hamiltonian for LaOFeAs Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.054503  0.42
2010 Shabaev A, Papaconstantopoulos DA, Mehl MJ, Bernstein N. First-principles calculations and tight-binding molecular dynamics simulations of the palladium-hydrogen system Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.184103  0.376
2010 Nixon LW, Papaconstantopoulos DA. Electronic structure and superconductivity of europium Physica C: Superconductivity and Its Applications. 470: 709-715. DOI: 10.1016/J.Physc.2010.07.004  0.789
2009 Lekka CE, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Properties of bcc metals by tight-binding total energy simulations Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 163: 8-16. DOI: 10.1016/J.Mseb.2009.04.014  0.395
2009 Lekka CE, Papaconstantopoulos DA, Mehl MJ, Finkenstadt D, Evangelakis G. Static and dynamic tight-binding simulations of the binary NbMo and CuZr alloys Journal of Alloys and Compounds. 483: 627-631. DOI: 10.1016/J.Jallcom.2008.07.219  0.414
2009 Papaconstantopoulos DA, Nagel DJ, Jones-Bjorklund C. Calculations of X-Ray band spectra: Application to vanadium International Journal of Quantum Chemistry. 14: 497-506. DOI: 10.1002/Qua.560140844  0.364
2009 Papaconstantopoulos DA, Nagel DJ. Band structure and fermi surfaces of ordered intermetallic compounds TiFe, TiCo and TiNi International Journal of Quantum Chemistry. 5: 515-526. DOI: 10.1002/Qua.560050859  0.41
2008 Nixon LW, Papaconstantopoulos DA, Mehl MJ. Electronic structure and superconducting properties of lanthanum Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.214510  0.774
2008 Lach-Hab MM, Papaconstantopoulos DA. The effect of spin-orbit coupling on the band structure of 5d metals Philosophical Magazine. 88: 2799-2805. DOI: 10.1080/14786430802465013  0.392
2008 Cohen RE, Stixrude L, Papaconstantopoulos DA. An accurate tight‐binding model for iron at high pressures: Towards high temperature simulations of the Earth’s core High‐Pressure Science and Technology. 309: 891-894. DOI: 10.1063/1.46177  0.699
2007 Nixon LW, Papaconstantopoulos DA, Mehl MJ. Calculations of the superconducting properties of scandium under high pressure Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.134512  0.762
2007 Lei S, Papaconstantopoulos DA, Mehl MJ. Calculations of superconducting properties in yttrium and calcium under high pressure Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.024512  0.32
2007 Spanos G, Geltmacher AB, Lewis AC, Bingert JF, Mehl M, Papaconstantopoulos D, Mishin Y, Gupta A, Matic P. A methodology to aid in the design of naval steels: Linking first principles calculations to mesoscale modeling Materials Science and Engineering A. 452: 558-568. DOI: 10.1016/J.Msea.2006.10.110  0.364
2006 Finkenstadt D, Bernstein N, Feldman JL, Mehl MJ, Papaconstantopoulos DA. Vibrational modes and diffusion of self-interstitial atoms in body-centered-cubic transition metals: A tight-binding molecular-dynamics study Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.184118  0.354
2006 Shi L, Papaconstantopoulos DA. Theoretical predictions of superconductivity in alkali metals under high pressure Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.184516  0.407
2006 Gotsis HJ, Kioussis N, Papaconstantopoulos DA. Evolution of magnetism of Cr nanoclusters on Au(111): First-principles electronic structure calculations Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.014436  0.375
2006 Chamati H, Papanicolaou NI, Mishin Y, Papaconstantopoulos DA. Embedded-atom potential for Fe and its application to self-diffusion on Fe(1 0 0) Surface Science. 600: 1793-1803. DOI: 10.1016/J.Susc.2006.02.010  0.303
2005 Johannes MD, Mazin II, Singh DJ, Papaconstantopoulos DA. Erratum: Nesting, Spin Fluctuations, and Odd-Gap Superconductivity inNaxCoO2·yH2O[Phys. Rev. Lett.93, 097005 (2004)PRLTAO0031-9007] Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.169901  0.511
2005 Bernstein N, Gotsis HJ, Papaconstantopoulos DA, Mehl MJ. Tight-binding calculations of the band structure and total energies of the various polytypes of silicon carbide Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.075203  0.382
2005 Mishin Y, Mehl MJ, Papaconstantopoulos DA. Phase stability in the Fe-Ni system: Investigation by first-principles calculations and atomistic simulations Acta Materialia. 53: 4029-4041. DOI: 10.1016/J.Actamat.2005.05.001  0.347
2004 Johannes MD, Mazin II, Singh DJ, Papaconstantopoulos DA. Nesting, spin fluctuations, and odd-gap superconductivity in NaxCoO2.yH2O. Physical Review Letters. 93: 097005. PMID 15447132 DOI: 10.1103/Physrevlett.93.097005  0.571
2004 Shi L, Papaconstantopoulos DA. Modifications and extensions to Harrison's tight-binding theory Physical Review B - Condensed Matter and Materials Physics. 70: 205101-1-205101-7. DOI: 10.1103/Physrevb.70.205101  0.377
2004 Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Tight-binding study of structure and vibrations of amorphous silicon [41] Physical Review B - Condensed Matter and Materials Physics. 70: 1-5. DOI: 10.1103/Physrevb.70.165201  0.323
2004 Mazin II, Papaconstantopoulos DA. Electronic structure and superconductivity of CaAlSi and SrAlSi Physical Review B - Condensed Matter and Materials Physics. 69: 180512-1-180512-4. DOI: 10.1103/Physrevb.69.180512  0.586
2004 Larson P, Mazin II, Papaconstantopoulos DA. Effects of doping on the magnetic anisotropy energy in SmCo 5-xFex and YCo5-xFex Physical Review B - Condensed Matter and Materials Physics. 69: 134408-1-134408-7. DOI: 10.1103/PhysRevB.69.134408  0.463
2004 Lach-Hab M, Akdim B, Papaconstantopoulos DA, Mehl MJ, Bernstein N. Application of the NRL tight-binding method to the heavy elements Pb and Po Journal of Physics and Chemistry of Solids. 65: 1837-1842. DOI: 10.1016/J.Jpcs.2004.06.020  0.466
2003 Lekka CE, Mehl MJ, Bernstein N, Papaconstantopoulos DA. Tight-binding simulations of Nb surfaces and surface defects Physical Review B - Condensed Matter and Materials Physics. 68: 354221-354228. DOI: 10.1103/Physrevb.68.035422  0.315
2003 Papanicolaou NI, Chamati H, Evangelakis GA, Papaconstantopoulos DA. Second-moment interatomic potential for Al, Ni and Ni-Al alloys, and molecular dynamics application Computational Materials Science. 27: 191-198. DOI: 10.1016/S0927-0256(02)00445-7  0.372
2003 Lekka CE, Bernstein N, Mehl MJ, Papaconstantopoulos DA. Electronic structure of the Cu3Au(1 1 1) surface Applied Surface Science. 219: 158-166. DOI: 10.1016/S0169-4332(03)00592-0  0.359
2003 Shi L, Papaconstantopoulos DA, Mehl MJ. Superconductivity in compressed potassium and rubidium Solid State Communications. 127: 13-15. DOI: 10.1016/S0038-1098(03)00388-0  0.345
2003 Wang GM, Papaconstantopoulos DA, Blaisten-Barojas E. Pressure induced transitions in calcium: A tight-binding approach Journal of Physics and Chemistry of Solids. 64: 185-192. DOI: 10.1016/S0022-3697(02)00199-3  0.409
2003 Larson P, Mazin II, Papaconstantopoulos DA. Calculation of magnetic anisotropy energy in SmcO5 Physical Review B - Condensed Matter and Materials Physics. 67: 2144051-2144056.  0.49
2002 Mehl MJ, Papaconstantopoulos DA. Tight-binding study of high-pressure phase transitions in titanium: Alpha to omega and beyond Epl. 60: 248-254. DOI: 10.1209/Epl/I2002-00356-Y  0.356
2002 Bernstein N, Mehl MJ, Papaconstantopoulos DA. Nonorthogonal tight-binding model for germanium Physical Review B - Condensed Matter and Materials Physics. 66: 752121-7521212. DOI: 10.1103/Physrevb.66.075212  0.451
2002 Bernstein N, Mehl MJ, Papaconstantopoulos DA, Papanicolaou NI, Bazant MZ, Kaxiras E. Erratum: Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model [Phys. Rev. B62, 4477 (2000)] Physical Review B. 65. DOI: 10.1103/Physrevb.65.249902  0.331
2002 Mishin Y, Mehl MJ, Papaconstantopoulos DA. Embedded-atom potential for B2-NiAl Physical Review B - Condensed Matter and Materials Physics. 65: 2241141-22411414. DOI: 10.1103/Physrevb.65.224114  0.319
2002 Papaconstantopoulos DA, Mehl MJ. First-principles study of superconductivity in high-pressure boron Physical Review B - Condensed Matter and Materials Physics. 65: 1725101-1725103. DOI: 10.1103/Physrevb.65.172510  0.397
2002 Gotsis HJ, Papaconstantopoulos DA, Mehl MJ. Tight-binding calculations of the band structure and total energies of the various phases of magnesium Physical Review B - Condensed Matter and Materials Physics. 65: 1341011-1341017. DOI: 10.1103/Physrevb.65.134101  0.447
2002 Mazin II, Papaconstantopoulos DA, Mehl MJ. Superconductivity in compressed iron: Role of spin fluctuations Physical Review B - Condensed Matter and Materials Physics. 65: 1005111-1005114. DOI: 10.1103/Physrevb.65.100511  0.554
2002 Akdim B, Papaconstantopoulos DA, Mehl MJ. Tight-binding description of the electronic structure and total energy of tin Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 82: 47-61. DOI: 10.1080/13642810208211215  0.404
2002 Lach-hab M, Papaconstantopoulos DA, Mehl MJ. Electronic structure calculations of lead chalcogenides PbS, PbSe, PbTe Journal of Physics and Chemistry of Solids. 63: 833-841. DOI: 10.1016/S0022-3697(01)00237-2  0.488
2001 Mishin Y, Mehl MJ, Papaconstantopoulos DA, Voter AF, Kress JD. Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations Physical Review B - Condensed Matter and Materials Physics. 63: 2241061-22410616. DOI: 10.1103/Physrevb.63.224106  0.371
2001 Kirchhoff F, Mehl MJ, Papanicolaou NI, Papaconstantopoulos DA, Khan FS. Dynamical properties of Au from tight-binding molecular-dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 63: 1951011-1951017. DOI: 10.1103/Physrevb.63.195101  0.338
2001 Papaconstantopoulos DA, Mazin II, Hathaway KB. Stabilization of itinerant (band) magnetism in FeAl by Ga substitution for Al Journal of Applied Physics. 89: 6889-6891. DOI: 10.1063/1.1357838  0.556
2001 Mehl MJ, Papaconstantopoulos DA, Mazin II, Bacalis NC, Pickett WE. Applications of the NRL tight-binding method to magnetic systems Journal of Applied Physics. 89: 6880-6882. DOI: 10.1063/1.1356031  0.649
2001 Papaconstantopoulos DA, Lach-Hab M, Mehl MJ. Tight-binding Hamiltonians for realistic electronic structure calculations Physica B: Condensed Matter. 296: 129-137. DOI: 10.1016/S0921-4526(00)00790-0  0.416
2001 Bacalis NC, Papaconstantopoulos DA, Mehl MJ, Lach-Hab M. Transferable tight-binding parameters for ferromagnetic and paramagnetic iron Physica B: Condensed Matter. 296: 125-128. DOI: 10.1016/S0921-4526(00)00789-4  0.379
2001 Lekka CE, Papanicolaou NI, Evangelakis GA, Papaconstantopoulos DA. Transferability of Slater-Koster parameters Journal of Physics and Chemistry of Solids. 62: 753-760. DOI: 10.1016/S0022-3697(00)00240-7  0.411
2000 Bernstein N, Mehl MJ, Papaconstantopoulos DA, Papanicolaou NI, Bazant MZ, Kaxiras E. Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model Physical Review B - Condensed Matter and Materials Physics. 62: 4477-4487. DOI: 10.1103/Physrevb.62.4477  0.432
2000 Mehl MJ, Papaconstantopoulos DA, Kioussis N, Herbranson M. Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fee metals Physical Review B - Condensed Matter and Materials Physics. 61: 4894-4897. DOI: 10.1103/Physrevb.61.4894  0.36
2000 Papaconstantopoulos DA, Hathaway KB. Predictions of magnetism in transition metal aluminides Journal of Applied Physics. 87: 5872-5874. DOI: 10.1063/1.372551  0.411
2000 Papanicolaou NI, Kallinteris GC, Evangelakis GA, Papaconstantopoulos DA. Second-moment interatomic potential for aluminum derived from total-energy calculations and molecular dynamics application Computational Materials Science. 17: 224-229. DOI: 10.1016/S0927-0256(00)00028-8  0.402
2000 Lach-Hab M, Keegan M, Papaconstantopoulos DA, Mehl MJ. Electronic structure calculations of PbTe Journal of Physics and Chemistry of Solids. 61: 1639-1645. DOI: 10.1016/S0022-3697(00)00045-7  0.459
1999 Canto G, De Coss R, Papaconstantopoulos DA. Electronic local density of states for the TiNi(001) surface Surface Review and Letters. 6: 719-723. DOI: 10.1142/S0218625X99000706  0.318
1999 Gross A, Scheffler M, Mehl MJ, Papaconstantopoulos DA. Ab Initio Based Tight-Binding Hamiltonian for the Dissociation of Molecules at Surfaces Physical Review Letters. 82: 1209-1212. DOI: 10.1103/Physrevlett.82.1209  0.338
1999 Fournée V, Mazin I, Papaconstantopoulos DA, Belin-Ferré E. Electronic structure calculations of Al-Cu alloys: Comparison with experimental results on Hume-Rothery phases Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 79: 205-221. DOI: 10.1080/13642819908206793  0.581
1998 Sigalas MM, Rose JH, Papaconstantopoulos DA, Shore HB. Scaling lengths of elemental metals Physical Review B - Condensed Matter and Materials Physics. 58: 13438-13441. DOI: 10.1103/Physrevb.58.13438  0.345
1998 Yang SH, Mehl MJ, Papaconstantopoulos DA. Application of a tight-binding total-energy method for Al, Ga, and In Physical Review B - Condensed Matter and Materials Physics. 57: R2013-R2016. DOI: 10.1103/Physrevb.57.R2013  0.332
1998 Papanicolaou NI, Kallinteris GC, Evangelakis GA, Papaconstantopoulos DA, Mehl MJ. Second-moment interatomic potential for Cu-Au alloys based on total-energy calculations and its application to molecular-dynamics simulations Journal of Physics Condensed Matter. 10: 10979-10990. DOI: 10.1088/0953-8984/10/48/018  0.381
1998 Papaconstantopoulos DA, Pickett WE. Tight-binding coherent potential approximation study of ferromagnetic La2/3Ba1/3MnO3 Physical Review B - Condensed Matter and Materials Physics. 57: 12751-12756.  0.434
1997 Kallinteris GC, Papanicolaou NI, Evangelakis GA, Papaconstantopoulos DA. Tight-binding interatomic potentials based on total-energy calculation: Application to noble metals using molecular-dynamics simulation Physical Review B - Condensed Matter and Materials Physics. 55: 2150-2156. DOI: 10.1103/Physrevb.55.2150  0.341
1997 Bacalis NC, Anagnostopoulos GF, Papanicolaou NI, Papaconstantopoulos DA. Electronic structure of ordered and disordered Cu-Ag alloys Physical Review B - Condensed Matter and Materials Physics. 55: 2144-2149. DOI: 10.1103/Physrevb.55.2144  0.352
1997 Papaconstantopoulos DA, Mehl MJ. The tight-binding method for interpolating first-principles total energy results Journal of Phase Equilibria. 18: 593-597. DOI: 10.1007/Bf02665817  0.389
1996 Mehl MJ, Papaconstantopoulos DA. Applications of a tight-binding total-energy method for transition and noble metals: Elastic constants, vacancies, and surfaces of monatomic metals. Physical Review. B, Condensed Matter. 54: 4519-4530. PMID 9986411 DOI: 10.1103/Physrevb.54.4519  0.407
1996 Papaconstantopoulos DA, Mehl MJ. Equation of state for PdH by a new tight binding approach Materials Research Society Symposium - Proceedings. 408: 31-35. DOI: 10.1557/Proc-408-31  0.301
1996 Gheorghiu A, Sénémaud C, Belin-Ferré E, Dankhàzi Z, Magaud-Martinage L, Papaconstantopoulos DA. Comparison of theoretical and experimental electronic distributions of Si-Ni and Si-Er alloys Journal of Physics Condensed Matter. 8: 719-728. DOI: 10.1088/0953-8984/8/6/012  0.339
1995 Keegan MA, Papaconstantopoulos DA. Electronic structure and total-energy calculations by a semi-self-consistent augmented-plane-wave method. Physical Review. B, Condensed Matter. 51: 14048-14056. PMID 9978329 DOI: 10.1103/Physrevb.51.14048  0.381
1995 Trambly de Laissardière G, Dankházi Z, Belin E, Sadoc A, Duc NM, Mayou D, Keegan MA, Papaconstantopoulos DA. Experimental and theoretical electronic distributions in Al-Cu-based alloys. Physical Review. B, Condensed Matter. 51: 14035-14047. PMID 9978328 DOI: 10.1103/Physrevb.51.14035  0.325
1995 Mehl MJ, Papaconstantopoulos DA. Application of a New Tight-Binding Method for Transition Metals: Manganese Epl. 31: 537-541. DOI: 10.1209/0295-5075/31/9/006  0.361
1995 Mehl MJ, Papaconstantopoulos DA, Cohen RE. A tight-binding method for the evaluation of the total energy of large systems International Journal of Thermophysics. 16: 503-510. DOI: 10.1007/Bf01441916  0.548
1994 Singh DJ, Papaconstantopoulos DA. Magnetic and electronic structure of CoH. Physical Review. B, Condensed Matter. 49: 12801-12804. PMID 10010185 DOI: 10.1103/Physrevb.49.12801  0.343
1994 Cohen RE, Mehl MJ, Papaconstantopoulos DA. Tight-binding total-energy method for transition and noble metals. Physical Review. B, Condensed Matter. 50: 14694-14697. PMID 9975712 DOI: 10.1103/Physrevb.50.14694  0.531
1994 Sigalas MM, Papaconstantopoulos DA. Calculations of the total energy, electron-phonon interaction, and Stoner parameter for metals. Physical Review. B, Condensed Matter. 50: 7255-7261. PMID 9974698 DOI: 10.1103/Physrevb.50.7255  0.443
1994 Julien J, Papaconstantopoulos D, Singh D, Pickett W, Cyrot-Lackmann F. Electronic structure of the BaA1-xBxO3 (A, B = Pb, Bi, Sn, Sb) alloy systems Physica C: Superconductivity. 220: 359-366. DOI: 10.1016/0921-4534(94)90924-5  0.556
1994 Pickett WE, Papaconstantopoulos DA, Pederson MR, Erwin SC. Electron-phonon coupling in A3C60: Contributions from intermolecular modes Journal of Superconductivity. 7: 651-655. DOI: 10.1007/Bf00728479  0.513
1993 Keegan MA, Skroch J, Papaconstantopoulos DA. Analytic expressions of band structure potentials and transferability studies Modelling and Simulation in Materials Science and Engineering. 1: 307-313. DOI: 10.1088/0965-0393/1/3/005  0.389
1993 Mehl MJ, Singh DJ, Papaconstantopoulos DA. Properties of ordered intermetallic alloys: first-principles and approximate methods Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 170: 49-57. DOI: 10.1016/0921-5093(93)90368-O  0.374
1991 Jiang C, Fletcher G, Fry JL, Papaconstantopoulos DA. Calculation of the superconducting parameter for hcp transition metals. Physical Review. B, Condensed Matter. 44: 2268-2275. PMID 9999778 DOI: 10.1103/Physrevb.44.2268  0.325
1991 Singh DJ, Papaconstantopoulos DA, Julien JP, Cyrot-Lackmann F. Electronic structure of Ba(Sn,Sb)O3: Absence of superconductivity. Physical Review. B, Condensed Matter. 44: 9519-9523. PMID 9998936 DOI: 10.1103/Physrevb.44.9519  0.393
1991 Julien JP, Papaconstantopoulos DA, Cyrot-Lackmann F, Pasturel A. Calculations of the electronic structure and superconducting properties of BaPb1-xSbxO3. Physical Review. B, Condensed Matter. 43: 2903-2909. PMID 9997590 DOI: 10.1103/Physrevb.43.2903  0.403
1991 Papaconstantopoulos DA. Magnetism in transition metal hydrides Epl. 15: 621-624. DOI: 10.1209/0295-5075/15/6/010  0.412
1991 Singh DJ, Papaconstantopoulos DA, Krakauer H, Klein BM, Pickett WE. Electronic structure of doped Sr2VO4 Physica C: Superconductivity and Its Applications. 175: 329-334. DOI: 10.1016/0921-4534(91)90605-X  0.587
1991 Papaconstantopoulos DA, Skroch JP, Drew GD. Calculations of the total energy, electron-phonon interaction and Stoner parameter in the 5d transition metal hydrides Journal of the Less Common Metals. 172: 401-410. DOI: 10.1016/0022-5088(91)90473-H  0.441
1990 Singh D, Cohen RE, Papaconstantopoulos DA. Erratum: "Possiblity of LiPdHx as a new ionic superconductor" Physical Review. B, Condensed Matter. 41: 9540. PMID 10021515 DOI: 10.1103/PHYSREVB.41.9540.3  0.393
1990 Singh D, Papaconstantopoulos DA. Equilibrium properties of zinc. Physical Review. B, Condensed Matter. 42: 8885-8889. PMID 9995099 DOI: 10.1103/Physrevb.42.8885  0.411
1990 Singh D, Cohen RE, Papaconstantopoulos DA. Possiblity of LiPdHx as a new ionic superconductor. Physical Review. B, Condensed Matter. 41: 861-864. PMID 9992843 DOI: 10.1103/Physrevb.41.861  0.575
1990 Broughton J, Pederson M, Papaconstantopoulos D, Singh D. GaAs Total Energy Tight Binding Hamiltonians for use in Molecular Dynamics Mrs Proceedings. 193. DOI: 10.1557/Proc-193-219  0.343
1990 Singh D, Cohen RE, Papaconstantopoulos DA. Erratum: Possibility ofLiPdHxas a new ionic superconductor Physical Review B. 41: 9540-9540. DOI: 10.1103/Physrevb.41.9540.2  0.46
1990 Belin E, Senemaud C, Martinage L, Veuillen JY, Papaconstantopoulos DA, Pasturel A, Cyrot-Lackmann F. A comparison of experimental and theoretical densities of states in CoSi2 Journal of Physics: Condensed Matter. 2: 3247-3252. DOI: 10.1088/0953-8984/2/14/009  0.347
1990 Martinage L, Pasturel A, Papaconstantopoulos D, Cyrot-Lackmann F. Electronic structure of transition metal disilicides Physica Scripta. 42: 363-366. DOI: 10.1088/0031-8949/42/3/024  0.415
1990 Julien JP, Pasturel A, Mayou D, Cyrot-Lackmann F, Papaconstantopoulos D. Interpretation of the electronic structure of Ba(K)Pb(Bi)O3via the alternating lattice method Physica Scripta. 42: 359-362. DOI: 10.1088/0031-8949/42/3/023  0.397
1990 Cohen RE, Pickett WE, Krakauer H, Papaconstantopoulos DA. High Tc superconductors as ionic metals and the role of phonons in high Tc superconductivity Phase Transitions. 22: 167-183. DOI: 10.1080/01411599008207223  0.66
1990 Singh D, Pickett WE, Cohen RE, Papaconstantopoulos DA, Krakauer H. Magnetism in layered oxides: Results from spin density functional calculations Physica B: Physics of Condensed Matter. 163: 470-472. DOI: 10.1016/0921-4526(90)90243-N  0.644
1989 Sanborn BA, Allen PB, Papaconstantopoulos DA. Empirical electron-phonon coupling constants and anisotropic electrical resistivity in hcp metals. Physical Review. B, Condensed Matter. 40: 6037-6044. PMID 9992670 DOI: 10.1103/Physrevb.40.6037  0.38
1989 DeWeert MJ, Papaconstantopoulos DA, Pickett WE. Tight-binding Hamiltonians for high-temperature superconductors and applications to coherent-potential-approximation calculations of the electronic properties of La2-xBaxCuO4-y. Physical Review. B, Condensed Matter. 39: 4235-4248. PMID 9948761 DOI: 10.1103/PhysRevB.39.4235  0.304
1989 Papaconstantopoulos DA, Drew GD, Cyrot-Lackmann F, Pasturel A, Julien JP. Electron-phonon interaction in the Ba(K)Pb(Bi)O3 system Physica C-Superconductivity and Its Applications. 162: 1435-1436. DOI: 10.1016/0921-4534(89)90759-4  0.384
1989 Pickett WE, Singh D, Papaconstantopoulos DA, Krakauer H, Cyrot M, Cyrot-Lackmann F. Theoretical studies of Sr2VO4, a charge conjugate analog of La2CuO4 Physica C: Superconductivity and Its Applications. 162: 1433-1434. DOI: 10.1016/0921-4534(89)90758-2  0.572
1989 Papaconstantopoulos DA. Evaluation of the electron-phonon interaction and transition temperature in the oxide superconductors Journal of Superconductivity. 2: 317-321. DOI: 10.1007/Bf00617882  0.371
1989 Papaconstantopoulos DA. Tight-Binding Hamiltonians Nato Asi Series. Series E, Applied Sciences. 163: 351-356. DOI: 10.1007/978-94-009-0915-1_24  0.4
1988 Papaconstantopoulos DA, Pickett WE, DeWeert MJ. Calculations of the electronic structure of La2-xBaxCuO4-y by the coherent-potential approximation. Physical Review Letters. 61: 211-214. PMID 10039061 DOI: 10.1103/PhysRevLett.61.211  0.307
1988 Newns DM, Pattnaik PC, Rasolt M, Papaconstantopoulos DA. Theory of high-Tc superconductors within a realistic Anderson lattice model. Physical Review. B, Condensed Matter. 38: 7033-7036. PMID 9945391 DOI: 10.1103/Physrevb.38.7033  0.34
1988 Fuster G, Brener NE, Callaway J, Fry JL, Zhao YZ, Papaconstantopoulos DA. Magnetism in bcc and fcc manganese. Physical Review. B, Condensed Matter. 38: 423-432. PMID 9945204 DOI: 10.1103/Physrevb.38.423  0.34
1988 Papanicolaou NI, Bacalis NC, Papaconstantopoulos DA. Calculation of the electron momentum density in Zr and ZrH2. Physical Review. B, Condensed Matter. 37: 8627-8638. PMID 9944224 DOI: 10.1103/Physrevb.37.8627  0.407
1988 Fletcher G, Fry JL, Pattnaik PC, Papaconstantopoulos DA, Bacalis NC. Tight-binding study of the electron-phonon interaction in bcc transition metals and alloys. Physical Review. B, Condensed Matter. 37: 4944-4949. PMID 9943666 DOI: 10.1103/Physrevb.37.4944  0.447
1988 DeWeert M, Papaconstantopoulos D, Pickett W. A Tight-Binding Hamiltonian for the High-Temperature Superconductor YBa2Cu3O7 Mrs Proceedings. 141. DOI: 10.1557/PROC-141-103  0.508
1988 Papaconstantopoulos DA, Sénémaud C, Belin E. Theoretical Densities of States of a-Si1-xGex:H Alloys. Comparison with X-Ray Spectra Epl. 6: 635-640. DOI: 10.1209/0295-5075/6/7/011  0.316
1988 Idzerda YU, Lind DM, Papaconstantopoulos DA, Prinz GA, Jonker BT, Krebs JJ. Stoner excitations in bcc Co (invited) Journal of Applied Physics. 64: 5921-5926. DOI: 10.1063/1.342175  0.356
1988 Fry JL, Zhao YZ, Pattnaik PC, Moruzzi VL, Papaconstantopoulos DA. Stoner theory of magnetic structure of alternate cubic phases of transition metals Journal of Applied Physics. 63: 4060-4062. DOI: 10.1063/1.340547  0.396
1988 Bacalis NC, Papaconstantopoulos DA. Band structure and electron-phonon interaction of LaAgO3 Journal of Superconductivity. 1: 175-180. DOI: 10.1007/Bf00617661  0.393
1988 Klein BM, Pickett WE, Cohen RE, Krakauer H, Papaconstantopoulos DA, Allen PB, Boyer LL. Electronic structure and high critical temperature in oxide superconductors Acs Symposium Series. 26-43.  0.548
1987 Pickett WE, Krakauer H, Papaconstantopoulos DA, Boyer LL. Evidence of conventional superconductivity in La-Ba-Cu-O compounds. Physical Review. B, Condensed Matter. 35: 7252-7255. PMID 9941016 DOI: 10.1103/Physrevb.35.7252  0.733
1987 Krakauer H, Picket WE, Papaconstantopoulos DA, Boyer LL. High Temperature Superconductors: Electronic Structure Changes due to Replacement of La with Ba and Sr in the Cu–O-Based Systems Japanese Journal of Applied Physics. 26: 991-992. DOI: 10.7567/Jjaps.26S3.991  0.397
1987 Papaconstantopoulos DA, Pickett WE, Krakauer H, Boyer LL. Calculations of the Superconducting Properties of Cu–O Based Perovskite-Like Structures Japanese Journal of Applied Physics. 26: 1091-1092. DOI: 10.7567/Jjaps.26S3.1091  0.608
1987 Papaconstantopoulos DA, Deweert MJ, Pickett WE. Tight-Binding Study of the Electronic Structure of the high Temperature Superconductor La2CuO4 Mrs Proceedings. 99. DOI: 10.1557/PROC-99-447  0.509
1987 Pickett WE, Papaconstantopoulos DA. Electronic structure and magnetic effects at the ideal (110) Fe/Ge interface Journal of Applied Physics. 61: 3735-3737. DOI: 10.1063/1.338674  0.551
1987 Papaconstantopoulos DA, Laufer PM. Calculations of the electronic structure of disordered transition metal dihydrides Journal of the Less Common Metals. 130: 229-237. DOI: 10.1016/0022-5088(87)90114-7  0.399
1987 Papanicolaou NI, Bacalis NC, Papaconstantopoulos DA. Calculation of the Compton profiles of vanadium, niobium and their dihydrides Zeitschrift F�R Physik B Condensed Matter. 65: 453-464. DOI: 10.1007/Bf01303767  0.381
1986 Bacalis NC, Papanicolaou NI, Papaconstantopoulos DA. Theoretical Compton profiles due to valence electrons of Ti and TiH2 Journal of Physics F: Metal Physics. 16: 1471-1483. DOI: 10.1088/0305-4608/16/10/014  0.374
1986 Papanicolaou NI, Bacalis NC, Papaconstantopoulos DA. Calculation of Compton Profiles of Tantalum and Tungsten Physica Status Solidi (B). 137: 597-606. DOI: 10.1002/Pssb.2221370221  0.412
1985 Bacalis NC, Blathras K, Thomaides P, Papaconstantopoulos DA. Various approximations made in augmented-plane-wave calculations. Physical Review. B, Condensed Matter. 32: 4849-4856. PMID 9937686 DOI: 10.1103/Physrevb.32.4849  0.355
1985 Papaconstantopoulos DA, Pickett WE, Klein BM, Boyer LL. Electronic properties of transition-metal nitrides: The group-V and group-VI nitrides VN, NbN, TaN, CrN, MoN, and WN. Physical Review. B, Condensed Matter. 31: 752-761. PMID 9935816 DOI: 10.1103/Physrevb.31.752  0.723
1985 Papaconstantopoulos DA, Pickett WE. Effects of disorder on high-temperature superconductivity in cubic MoN. Physical Review. B, Condensed Matter. 31: 7093-7097. PMID 9935626 DOI: 10.1103/Physrevb.31.7093  0.477
1985 Fry JL, Fletcher G, Pattnaik PC, Papaconstantopoulos DA. Systematic tight-binding study of the electron-phonon interaction in metals Physica B+C. 135: 473-476. DOI: 10.1016/0378-4363(85)90534-0  0.417
1985 Laufer PM, Papaconstantopoulos D. Superconductivity in PdAg alloys Physica B+C. 135: 405-409. DOI: 10.1016/0378-4363(85)90517-0  0.387
1985 Economou EN, Zdetsis AD, Papaconstantopoulos DA. Calculation of physical quantities in α-SiHx Journal of Non-Crystalline Solids. 147-150. DOI: 10.1016/0022-3093(85)90630-1  0.357
1984 Papaconstantopoulos DA, Pickett WE, Klein BM, Boyer LL. Superconductivity: Nitride offers 30K transition? Nature. 308: 494-495. DOI: 10.1038/308494A0  0.466
1984 Papaconstantopoulos DA, Switendick AC. Self-consistent band structure calculations of titanium, zirconium and hafnium dihydrides☆ Journal of the Less Common Metals. 103: 317-324. DOI: 10.1016/0022-5088(84)90255-8  0.45
1984 Shore JD, Papaconstantopoulos DA. Slater-Koster parametrization of the band structure of TiNi Journal of Physics and Chemistry of Solids. 45: 439-445. DOI: 10.1016/0022-3697(84)90152-5  0.337
1983 Pickett WE, Papaconstantopoulos DA, Economou EN. Theoretical study of optical absorption in hydrogenated amorphous silicon Physical Review B. 28: 2232-2234. DOI: 10.1103/Physrevb.28.2232  0.426
1983 Klein BM, Pickett WE, Papaconstantopoulos DA, Boyer LL. Electronic structure, superconductivity, and magnetism in the C 15 compounds ZrV2, ZrFe2, and ZrCo2 Physical Review B. 27: 6721-6731. DOI: 10.1103/Physrevb.27.6721  0.588
1982 Papaconstantopoulos DA, Klein BM, Boyer LL, Connolly JWD. Band structure and superconductivity in Bi3Sr and Bi3Eu Physical Review B. 26: 4951-4956. DOI: 10.1103/Physrevb.26.4951  0.411
1982 Soukoulis CM, Papaconstantopoulos DA. Effects of disorder on properties of A15 materials Physical Review B. 26: 3673-3681. DOI: 10.1103/Physrevb.26.3673  0.343
1982 Papaconstantopoulos D, Kamm G, Poulopoulos P. Electronic structure of the intermetallic compound TiNi Solid State Communications. 41: 93-96. DOI: 10.1016/0038-1098(82)90256-3  0.398
1982 Papaconstantopoulos DA, Switendick AC. Electronic structure of substoichiometric Ti-Fe hydride Journal of the Less Common Metals. 88: 273-281. DOI: 10.1016/0022-5088(82)90232-6  0.403
1981 Papaconstantopoulos DA, Economou EN. Calculations of the electronic properties of hydrogenated silicon Physical Review B. 24: 7233-7246. DOI: 10.1103/Physrevb.24.7233  0.358
1981 Anderson JR, Papaconstantopoulos DA, Schirber JE. Influence of pressure on the Fermi surface of niobium Physical Review B. 24: 6790-6794. DOI: 10.1103/Physrevb.24.6790  0.323
1981 Zdetsis AD, Economou EN, Papaconstantopoulos DA. Non-rigid-muffin-tin calculations of the electron-phonon interaction in simple metals Physical Review B. 24: 3115-3121. DOI: 10.1103/Physrevb.24.3115  0.403
1981 Pickett WE, Papaconstantopoulos DA, Economou EN. CALCULATIONS OF TRANSPORT PROPERTIES IN a-Si : H Le Journal De Physique Colloques. 42: C4-769-C4-772. DOI: 10.1051/Jphyscol:19814168  0.474
1981 Papaconstantopoulos DA, Klein BM. Calculations of the pressure dependence of the superconducting transition temperature of vanadium Physica B+C. 107: 725-726. DOI: 10.1016/0378-4363(81)90665-3  0.395
1981 Pickett WE, Klein BM, Papaconstantopoulos DA. Theoretical prediction of MoN as a high Tc superconductor Physica B+C. 107: 667-668. DOI: 10.1016/0378-4363(81)90636-7  0.573
1981 Soukoulis CM, Papaconstantopoulos DA. The superconducting transition temperature of disordered A-15 compounds Physica B-Condensed Matter. 107: 265-266. DOI: 10.1016/0378-4363(81)90438-1  0.352
1980 Papaconstantopoulos DA, Economou EN. Slater-Koster parametrization for Si and the ideal-vacancy calculation Physical Review B. 22: 2903-2907. DOI: 10.1103/Physrevb.22.2903  0.381
1980 Klein BM, Papaconstantopoulos DA, Boyer LL. Linear-combination-of-atomic-orbitals-coherent-potential-approximation studies of carbon vacancies in the substoichiometric refractory monocarbides NbCx, TaCx, and HfCx Physical Review B. 22: 1946-1966. DOI: 10.1103/Physrevb.22.1946  0.405
1980 Papaconstantopoulos DA, Gubser DU, Klein BM, Boyer LL. Superconducting transition temperatures in pseudobinary A15 compounds Physical Review B. 21: 1326-1328. DOI: 10.1103/Physrevb.21.1326  0.38
1980 Zdetsis AD, Economou EN, Papaconstantopoulos DA. Ab initio bandstructure of lead Journal of Physics F: Metal Physics. 10: 1149-1156. DOI: 10.1088/0305-4608/10/6/015  0.439
1980 Papaconstantopoulos DA, Klein BM. SEMI-EMPIRICAL APW CALCULATION OF THE BAND STRUCTURE OF SILICON Solar Energy. 34: 511-513. DOI: 10.1016/0038-1098(80)90139-8  0.382
1980 Papaconstantopoulos DA. Platinum hydride: A possible high temperature superconductor Journal of the Less Common Metals. 73: 305-309. DOI: 10.1016/0022-5088(80)90322-7  0.437
1979 Klein BM, Boyer LL, Papaconstantopoulos DA. Superconducting properties of A 15 compounds derived from band-structure results Physical Review Letters. 42: 530-533. DOI: 10.1103/Physrevlett.42.530  0.428
1979 Anderson JR, Papaconstantopoulos DA, Boyer LL, Schirber JE. Spin-polarized band-structure calculations for Ni Physical Review B. 20: 3172-3185. DOI: 10.1103/Physrevb.20.3172  0.408
1979 Papaconstantopoulos DA, Economou EN, Klein BM, Boyer LL. Electronic structure and superconductivity in Pd-Ag-H and Pd-Rh-H alloys Physical Review B. 20: 177-183. DOI: 10.1103/Physrevb.20.177  0.384
1979 Zdetsis A, Economou E, Papaconstantopoulos D. Theoretical calculation of Tc for lead Journal De Physique Lettres. 40: 253-255. DOI: 10.1051/Jphyslet:019790040012025300  0.352
1978 Klein BM, Boyer LL, Papaconstantopoulos DA, Mattheiss LF. Self-consistent augmented-plane-wave electronic-structure calculations for the A15 compounds V3X and Nb3X, X=Al,Ga,Si,Ge,andSn Physical Review B. 18: 6411-6438. DOI: 10.1103/Physrevb.18.6411  0.419
1978 Papaconstantopoulos DA, Klein BM, Faulkner JS, Boyer LL. Coherent-potential-approximation calculations for PdHx Physical Review B. 18: 2784-2791. DOI: 10.1103/Physrevb.18.2784  0.44
1978 Papaconstantopoulos DA, Klein BM, Economou EN, Boyer LL. Band structure and superconductivity of PdDx and PdHx Physical Review B. 17: 141-150. DOI: 10.1103/Physrevb.17.141  0.407
1978 Klein BM, Boyer LL, Papaconstantopoulos DA. Self-consistent APW bandstructure of V3Ga Journal of Physics F: Metal Physics. 8: 617-621. DOI: 10.1088/0305-4608/8/4/012  0.361
1978 Papaconstantopoulos DA, Economou EN, Klein BM, Boyer LL. SUPERCONDUCTIVITY IN PALLADIUM BASED HYBRIDES Le Journal De Physique Colloques. 39: C6-435-C6-436. DOI: 10.1051/Jphyscol:19786195  0.412
1978 Klein BM, Boyer LL, Papaconstantopoulos DA. ELECTRONIC STRUCTURE, ELECTRON-PHONON INTERACTIONS AND LOW-TEMPERATURE ANOMALIES IN A 15 COMPOUNDS Le Journal De Physique Colloques. 39: C6-416-C6-417. DOI: 10.1051/Jphyscol:19786187  0.371
1978 Papaconstantopoulos D, Zdetsis A, Economou E. Band structure and electron-phonon interaction in lead Solid State Communications. 27: 1189-1192. DOI: 10.1016/0038-1098(78)91140-7  0.455
1977 Klein BM, Economou EN, Papaconstantopoulos DA. Inverse isotope effect and the x dependence of the superconducting transition temperature in PdHx and PdDx Physical Review Letters. 39: 574-577. DOI: 10.1103/Physrevlett.39.574  0.405
1977 Papaconstantopoulos DA, Boyer LL, Klein BM, Williams AR, Morruzzi VL, Janak JF. Calculations of the superconducting properties of 32 metals with Z49 Physical Review B. 15: 4221-4226. DOI: 10.1103/Physrevb.15.4221  0.427
1977 Boyer LL, Papaconstantopoulos DA, Klein BM. Effect of self-consistency and exchange on the electronic structure of the transition metals, V, Nb, and Ta Physical Review B. 15: 3685-3693. DOI: 10.1103/Physrevb.15.3685  0.396
1977 Papaconstantopoulos DA, Klein BM. Electron-phonon interaction and superconductivity in metallic hydrogen Ferroelectrics. 16: 307-310. DOI: 10.1080/00150197708237185  0.366
1977 Klein BM, Papaconstantopoulos DA, Boyer LL. Electronic structure, electron-phonon interaction and high-temperature superconductivity in V3Si Ferroelectrics. 16: 299-302. DOI: 10.1080/00150197708237183  0.434
1977 Boyer LL, Klein BM, Papaconstantopoulos DA. Calculations of the electron-phonon interaction in the transition metals V, Nb, and Ta Ferroelectrics. 16: 291-293. DOI: 10.1080/00150197708237181  0.416
1976 Klein BM, Papaconstantopoulos DA. On calculating the electron-phonon mass enhancement lambda for compounds Journal of Physics F: Metal Physics. 6: 1135-1143. DOI: 10.1088/0305-4608/6/6/026  0.383
1976 Klein BM, Boyer LL, Papaconstantopoulos DA. On the relationship between the phonon anomalies and the AB initio calculated Fermi surfaces of TaC and NbC Solid State Communications. 20: 937-940. DOI: 10.1016/0038-1098(76)91310-7  0.345
1975 Papaconstantopoulos DA, Klein BM. Superconductivity in the Palladium-Hydrogen System Physical Review Letters. 35: 110-113. DOI: 10.1103/Physrevlett.35.110  0.355
1975 Papaconstantopoulos DA. Electronic structure of TiFe Physical Review B. 11: 4801-4807. DOI: 10.1103/Physrevb.11.4801  0.365
1974 Klein BM, Papaconstantopoulos DA. Electron-phonon interaction and superconductivity in transition metals and transition-metal carbides Physical Review Letters. 32: 1193-1195. DOI: 10.1103/Physrevlett.32.1193  0.424
1974 McCaffrey JW, Papaconstantopoulos DA. Calculated K x-ray absorption spectrum of calcium Solid State Communications. 14: 1055-1058. DOI: 10.1016/0038-1098(74)90270-1  0.327
1973 Papaconstantopoulos DA. Densities of States and Calculated K X-Ray Spectra of TiFe Physical Review Letters. 31: 1050-1052. DOI: 10.1103/Physrevlett.31.1050  0.34
1973 McCaffrey JW, Anderson JR, Papaconstantopoulos DA. Electronic Structure of Calcium as a Function of the Lattice Constant Physical Review B. 7: 674-684. DOI: 10.1103/Physrevb.7.674  0.334
1973 Papaconstantopoulos DA, McCaffrey JW, Nagel DJ. Component local densities of states for ordered TiNi Journal of Physics F: Metal Physics. 3. DOI: 10.1088/0305-4608/3/1/008  0.348
1972 Papaconstantopoulos DA, Anderson JR, McCaffrey JW. Self-Consistent Energy Bands In Vanadium At Normal And Reduced Lattice Spacings. Physical Review B. 5: 1214-1221. DOI: 10.1103/Physrevb.5.1214  0.379
1970 McCaffrey JW, Papaconstantopoulos DA, Anderson JR. Band structure and pressure-induced electronic transitions in calcium Solid State Communications. 8: 2109-2112. DOI: 10.1016/0038-1098(70)90230-9  0.366
1969 Anderson JR, McCaffrey JW, Papaconstantopoulos DA. Band calculations for vanadium Solid State Communications. 7: 1439-1441. DOI: 10.1016/0038-1098(69)90319-6  0.377
1964 Pincherle L, Papaconstantopoulos D. On the momentum eigenfunctions for the periodic problem Proceedings of the Physical Society. 83: 327-328. DOI: 10.1088/0370-1328/83/2/117  0.631
Low-probability matches (unlikely to be authored by this person)
1990 Sigalas M, Bacalis NC, Papaconstantopoulos DA, Mehl MJ, Switendick AC. Total-energy calculations of solid H, Li, Na, K, Rb, and Cs. Physical Review. B, Condensed Matter. 42: 11637-11643. PMID 9995467 DOI: 10.1103/Physrevb.42.11637  0.298
1994 Sigalas MM, Papaconstantopoulos DA. Transferable total-energy parametrizations for metals: Applications to elastic-constant determination. Physical Review. B, Condensed Matter. 49: 1574-1579. PMID 10010945 DOI: 10.1103/Physrevb.49.1574  0.296
2007 Lekka CE, Papaconstantopoulos DA. Structural and electronic properties of V, Nb and Ta nanoclusters by tight-binding molecular dynamics simulations Surface Science. 601: 3937-3942. DOI: 10.1016/J.Susc.2007.04.079  0.296
1973 Anderson JR, Papaconstantopoulos DA, McCaffrey JW, Schirber JE. Self-consistent band structure of niobium at normal and reduced lattice spacings Physical Review B. 7: 5115-5121. DOI: 10.1103/Physrevb.7.5115  0.295
2005 Bacalis NC, Metropoulos A, Papaconstantopoulos DA. Description of the lowest-energy surface of the CH+O system: Interpolation of ab initio configuration-interaction total energies by a tight-binding Hamiltonian Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.022707  0.291
1985 Zdetsis AD, Economou EN, Papaconstantopoulos DA, Flytzanis aN. Electronic and transport properties of hydrogenated amorphous silicon. Physical Review. B, Condensed Matter. 31: 2410-2415. PMID 9936052 DOI: 10.1103/Physrevb.31.2410  0.287
1989 Bacalis NC, Papanicolaou NI, Papaconstantopoulos DA. Comparison of the Electron Momentum and Two-Photon Momentum Distributions in Titanium and Zirconium Dihydrides* Zeitschrift FüR Physikalische Chemie. 163: 555-560. DOI: 10.1524/Zpch.1989.163.Part_2.0555  0.287
1992 Sigalas M, Papaconstantopoulos DA, Bacalis NC. Total energy and band structure of the 3d, 4d, and 5d metals. Physical Review. B, Condensed Matter. 45: 5777-5783. PMID 10000312 DOI: 10.1103/Physrevb.45.5777  0.286
1997 Bacalis NC, Theodorakopoulos N, Papaconstantopoulos DA. Wave-vector-dependent Stoner approach to band ferromagnetism in Ni Physical Review B-Condensed Matter. 55: 11391-11394. DOI: 10.1103/Physrevb.55.11391  0.285
2001 Farkas D, Mehl MJ, Papaconstantopoulos DA. Lattice trapping of cracks in Fe using an interatomic potential derived from experimental data and ab initio calculations Materials Research Society Symposium - Proceedings. 653: Z6.4.1-Z6.4.6. DOI: 10.1557/Proc-653-Z6.4  0.283
2009 Liu X, Feldman JL, Cahill DG, Crandall RS, Bernstein N, Photiadis DM, Mehl MJ, Papaconstantopoulos DA. High thermal conductivity of a hydrogenated amorphous silicon film. Physical Review Letters. 102: 035901. PMID 19257371 DOI: 10.1103/Physrevlett.102.035901  0.282
1986 Laufer PM, Papaconstantopoulos DA. Theory of superconductivity in palladium-noble-metal hydrides. Physical Review. B, Condensed Matter. 33: 5134-5137. PMID 9939007 DOI: 10.1103/Physrevb.33.5134  0.281
1984 Papaconstantopoulos DA, Slaughter WR. Calculation of crystal potentials Computer Physics Communications. 35: 207-214. DOI: 10.1016/S0010-4655(84)82477-7  0.281
1992 Papaconstantopoulos DA, Singh DJ. Reply to "Comment on 'Total-energy calculations of solid H, Li, Na, K, Rb, and Cs' " Physical Review. B, Condensed Matter. 45: 7507-7508. PMID 10000542 DOI: 10.1103/Physrevb.45.7507  0.281
2006 Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Erratum: Tight-binding study of structure and vibrations of amorphous silicon [Phys. Rev. B70, 165201 (2004)] Physical Review B. 73. DOI: 10.1103/Physrevb.73.169905  0.274
1992 Sigalas M, Papaconstantopoulos DA. Transferable Total Energy Parametrization for Metals Mrs Proceedings. 291: 27. DOI: 10.1557/Proc-291-27  0.274
2006 Gross A, Eichler A, Hafner J, Mehl MJ, Papaconstantopoulos DA. Ab initio based tight-binding molecular dynamics simulation of the sticking and scattering of O2Pt(111). The Journal of Chemical Physics. 124: 174713. PMID 16689596 DOI: 10.1063/1.2192512  0.271
1989 Papaconstantopoulos DA, Pasturel A, Julien JP, Cyrot-Lackmann F. Calculations of the electronic structure and superconducting properties of the Ba(K)Pb(Bi)O3 system. Physical Review. B, Condensed Matter. 40: 8844-8851. PMID 9991367  0.259
2003 Groß A, Eichler A, Hafner J, Mehl MJ, Papaconstantopoulos DA. Unified picture of the molecular adsorption process: O2/Pt(1 1 1) Surface Science. 539: L542-L548. DOI: 10.1016/S0039-6028(03)00791-X  0.258
2004 Johannes MD, Papaconstantopoulos DA, Singh DJ, Mehl MJ. A tight-binding investigation of the NaxCoO2 Fermi surface Europhysics Letters. 68: 433-439. DOI: 10.1209/Epl/I2004-10254-X  0.258
2020 Papaconstantopoulos DA, Mehl MJ, Chang P. High-temperature superconductivity in LaH10 Physical Review B. 101. DOI: 10.1103/Physrevb.101.060506  0.257
1998 Li Y, Blaisten-Barojas E, Papaconstantopoulos DA. Structure and dynamics of alkali-metal clusters and fission of highly charged clusters Physical Review B - Condensed Matter and Materials Physics. 57: 15519-15532. DOI: 10.1103/Physrevb.57.15519  0.252
1978 Mielczarek EV, Papaconstantopoulos DA. Isomer shift and charge density in FeAl and the 57 Fe isomer shift Physical Review B. 17: 4223-4227. DOI: 10.1103/Physrevb.17.4223  0.249
2009 Shabaev A, Papaconstantopoulos DA. Tight-binding molecular dynamics study of palladium Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.064107  0.244
1990 Mehl MJ, Osburn JE, Papaconstantopoulos DA, Klein BM. Erratum: Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations Physical Review. B, Condensed Matter. 42: 5362-5363. PMID 9996110  0.244
1990 Mehl MJ, Osburn JE, Papaconstantopoulos DA, Klein BM. Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations. Physical Review. B, Condensed Matter. 41: 10311-10323. PMID 9993438  0.244
1984 Johnson WB, Anderson JR, Papaconstantopoulos DA. Fermi surface of iron under pressure Physical Review B. 29: 5337-5348. DOI: 10.1103/Physrevb.29.5337  0.242
1992 Magaud L, Veuillen JY, Lollman D, Nguyen Tan TA, Papaconstantopoulos DA, Mehl MJ. Electronic structure of ErSi2 and YSi2. Physical Review. B, Condensed Matter. 46: 1299-1304. PMID 10003767  0.241
1987 Laufer PM, Papaconstantopoulos DA. Tight-binding coherent-potential-approximation study of the electronic states of palladium-noble-metal alloys. Physical Review. B, Condensed Matter. 35: 9019-9029. PMID 9941296  0.239
2002 Papaconstantopoulos DA, Hellberg CS. Comment on "Correlation induced paramagnetic ground state in FeAl". Physical Review Letters. 89: 029701. PMID 12097022 DOI: 10.1103/Physrevlett.89.029701  0.238
1985 Papaconstantopoulos DA, Switendick AC. Calculations of the electronic properties of substoichiometric Ti-Fe hydride. Physical Review. B, Condensed Matter. 32: 1289-1300. PMID 9937144  0.232
1997 Li Y, Blaisten-Barojas E, Papaconstantopoulos DA. Molecular dynamics study of neutral and multiply charged sodium clusters Chemical Physics Letters. 268: 331-336. DOI: 10.1016/S0009-2614(97)00208-X  0.227
2004 Haftel MI, Bernstein N, Mehl MJ, Papaconstantopoulos DA. Interlayer surface relaxations and energies of fcc metal surfaces by a tight-binding method Physical Review B - Condensed Matter and Materials Physics. 70: 125419-1-125419-15. DOI: 10.1103/Physrevb.70.125419  0.225
1998 Papaconstantopoulos DA, Mehl MJ, Erwin SC, Pederson MR. Tight-binding Hamiltonians for carbon and silicon Materials Research Society Symposium - Proceedings. 491: 221-230. DOI: 10.1557/Proc-491-221  0.222
2006 Fyta MG, Remediakis IN, Kelires PC, Papaconstantopoulos DA. Insights into the fracture mechanisms and strength of amorphous and nanocomposite carbon. Physical Review Letters. 96: 185503. PMID 16712372 DOI: 10.1103/Physrevlett.96.185503  0.221
1999 Mishin Y, Farkas D, Mehl MJ, Papaconstantopoulos DA. Interatomic potentials for monoatomic metals from experimental data and ab initio calculations Physical Review B - Condensed Matter and Materials Physics. 59: 3393-3407.  0.212
2001 Papaconstantopoulos DA, Mehl MJ. Precise tight-binding description of the band structure of MgB2 Physical Review B - Condensed Matter and Materials Physics. 64: 1725101-1725104.  0.21
1999 Jiménez VM, Lassaletta G, Fernández A, Espinós JP, Yubero F, González-Elipe AR, Soriano L, Sanz JM, Papaconstantopoulos DA. Resonant photoemission characterization of SnO Physical Review B - Condensed Matter and Materials Physics. 60: 11171-11179. DOI: 10.1103/Physrevb.60.11171  0.199
1983 Papaconstantopoulos DA. Self-consistent augmented-plane-wave band-structure calculations of Si and Ge with overlapping spheres Physical Review B. 27: 2569-2572. DOI: 10.1103/PHYSREVB.27.2569  0.198
1988 Chubb SR, Papaconstantopoulos DA, Klein BM. First-principles study of L10 Ti-Al and V-Al alloys. Physical Review. B, Condensed Matter. 38: 12120-12124. PMID 9946146 DOI: 10.1103/Physrevb.38.12120  0.197
1986 Pickett WE, Papaconstantopoulos DA. Electronic structure of the Fe/Ge(110) interface. Physical Review. B, Condensed Matter. 34: 8372-8378. PMID 9939550  0.196
1988 Bacalis NC, Papaconstantopoulos DA, Pickett WE. Systematic calculations of the band structures of the rare-gas crystals neon, argon, krypton, and xenon. Physical Review. B, Condensed Matter. 38: 6218-6226. PMID 9947084 DOI: 10.1103/PhysRevB.38.6218  0.189
1981 Economou EN, Papaconstantopoulos DA. Theory of hydrogenated silicon Physical Review B. 23: 2042-2045. DOI: 10.1103/Physrevb.23.2042  0.184
2000 Mazin II, Papaconstantopoulos DA, Singh DJ. Tight-binding Hamiltonians for Sr-filled ruthenates: Application to the gap anisotropy and Hall coefficient in Sr2RuO4 Physical Review B - Condensed Matter and Materials Physics. 61: 5223-5228.  0.18
1999 Mishin Y, Farkas D, Mehl MJ, Papaconstantopoulos DA. Interatomic potentials for Al and Ni from experimental data and ab initio calculations Materials Research Society Symposium - Proceedings. 538: 535-540.  0.174
2000 Ardelean H, Belin-Ferré E, Sénémaud C, Papaconstantopoulos DA. Calculation of the densities of states of a-Si1-yCy(:H) alloys and comparison with measured X-ray spectra Journal of Non-Crystalline Solids. 261: 218-225. DOI: 10.1016/S0022-3093(99)00580-3  0.163
2002 Yang SH, Mehl MJ, Papaconstantopoulos DA, Scott MB. Application of a tight-binding total-energy method for FeAl Journal of Physics Condensed Matter. 14: 1895-1902. DOI: 10.1088/0953-8984/14/8/317  0.153
2000 Hu H, Li Y, He H, Barojas EB, Papaconstantopoulos DA. Molecular dynamics simulation for atomic structure and properties of nanocrystal of silver Chinese Journal of Chemical Physics. 13: 297-298.  0.132
1988 Idzerda YU, Lind DM, Papaconstantopoulos DA, Prinz GA, Jonker BT, Krebs JJ. Stoner transitions and spin-selective excitations in bcc cobalt. Physical Review Letters. 61: 1222-1225. PMID 10038733  0.119
1992 Papaconstantopoulos DA, Pickett WE. Ternary nitrides BiNCa3 and PbNCa3: Unusual ionic bonding in the antiperovskite structure. Physical Review. B, Condensed Matter. 45: 4008-4012. PMID 10002012  0.116
1987 Shore JD, Papaconstantopoulos DA. Transferability and scaling of Slater-Koster parameters in transition metals. Physical Review. B, Condensed Matter. 35: 1122-1128. PMID 9941519  0.115
1989 Papaconstantopoulos DA, Gonis A, Laufer PM. Tight-binding coherent-potential approximation including off-diagonal disorder. Physical Review. B, Condensed Matter. 40: 12196-12200. PMID 9991850  0.108
2003 Papaconstantopoulos DA, Mehl MJ. The Slater-Koster tight-binding method: A computationally efficient and accurate approach Journal of Physics Condensed Matter. 15: R413-R440. DOI: 10.1088/0953-8984/15/10/201  0.105
2001 Mehl MJ, Papaconstantopoulos DA, Singh DJ. Effects of C, Cu, and Be substitutions in superconducting MgB2 Physical Review B - Condensed Matter and Materials Physics. 64: 1405091-1405094.  0.09
1989 Papaconstantopoulos DA, Fry JL, Brener NE. Ferromagnetism in hexagonal-close-packed elements. Physical Review. B, Condensed Matter. 39: 2526-2528. PMID 9948495 DOI: 10.1103/PhysRevB.39.2526  0.083
2002 Halilov SV, Singh DJ, Papaconstantopoulos DA. Soft modes and superconductivity in the layered hexagonal carbides V2CAs, Nb2CAs, and Nb2CS Physical Review B - Condensed Matter and Materials Physics. 65: 1745191-1745196.  0.056
2011 Liu X, Feldman JL, Cahill DG, Yang HS, Crandall RS, Bernstein N, Photiadis DM, Mehl MJ, Papaconstantopoulos DA. Anomalously high thermal conductivity of amorphous silicon films prepared by hot-wire chemical vapor deposition Chinese Journal of Physics. 49: 359-368.  0.05
2004 Feldman JL, Bernstein N, Papaconstantopoulos DA, Mehl MJ. Consequences of zero-point motion to the radial distribution function of amorphous silicon Journal of Physics Condensed Matter. 16: S5165-S5172. DOI: 10.1088/0953-8984/16/44/013  0.038
2003 Papanicolaou NI, Papaconstantopoulos DA. Interatomic potential for Pd and molecular-dynamics simulation of diffusion in Pd/Pd(1 1 1) system Thin Solid Films. 428: 40-46. DOI: 10.1016/S0040-6090(02)01259-2  0.025
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