Henry Krakauer - Publications

Affiliations: 
College of William and Mary, Williamsburg, VA 
Area:
Condensed Matter Physics
Website:
https://www.wm.edu/as/physics/people/fulltimefaculty/krakauer_h.php

136 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Purwanto W, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer. The Journal of Chemical Physics. 144: 244306. PMID 27369514 DOI: 10.1063/1.4954245  1
2015 Ma F, Purwanto W, Zhang S, Krakauer H. Quantum Monte Carlo Calculations in Solids with Downfolded Hamiltonians. Physical Review Letters. 114: 226401. PMID 26196632 DOI: 10.1103/Physrevlett.114.226401  1
2015 Purwanto W, Zhang S, Krakauer H. An auxiliary-field quantum Monte Carlo study of the chromium dimer. The Journal of Chemical Physics. 142: 064302. PMID 25681901 DOI: 10.1063/1.4906829  1
2015 Komelj M, Krakauer H. Electron-phonon coupling and exchange-correlation effects in superconducting H3 S under high pressure Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.205125  1
2014 Virgus Y, Purwanto W, Krakauer H, Zhang S. Stability, energetics, and magnetic states of cobalt adatoms on graphene. Physical Review Letters. 113: 175502. PMID 25379922 DOI: 10.1103/Physrevlett.113.175502  1
2013 Purwanto W, Zhang S, Krakauer H. Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. 9: 4825-33. PMID 26583401 DOI: 10.1021/Ct4006486  1
2013 Huffman TJ, Xu P, Qazilbash MM, Walter EJ, Krakauer H, Wei J, Cobden DH, Bechtel HA, Martin MC, Carr GL, Basov DN. Anisotropic infrared response of vanadium dioxide microcrystals Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.115121  1
2013 Ma F, Zhang S, Krakauer H. Excited state calculations in solids by auxiliary-field quantum Monte Carlo New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/9/093017  1
2012 Virgus Y, Purwanto W, Krakauer H, Zhang S. Ab initio many-body study of cobalt adatoms adsorbed on graphene Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.241406  1
2011 Purwanto W, Krakauer H, Virgus Y, Zhang S. Assessing weak hydrogen binding on Ca+ centers: an accurate many-body study with large basis sets. The Journal of Chemical Physics. 135: 164105. PMID 22047226 DOI: 10.1063/1.3654002  1
2011 Pechkis DL, Walter EJ, Krakauer H. First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr(1/2)Ti(1/2))O3 and Pb(Mg(1/3)Nb(2/3))O3: linear dependence on transition-metal/oxygen bond lengths. The Journal of Chemical Physics. 135: 114507. PMID 21950871 DOI: 10.1063/1.3637945  1
2011 Ma F, Zhang S, Krakauer H. Finite-size correction in many-body electronic structure calculations of magnetic systems Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.155130  1
2009 Pechkis DL, Walter EJ, Krakauer H. High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding. The Journal of Chemical Physics. 131: 184511. PMID 19916616 DOI: 10.1063/1.3257625  1
2009 García ME, Pagola S, Navarro-Vázquez A, Phillips DD, Gayathri C, Krakauer H, Stephens PW, Nicotra VE, Gil RR. Stereochemistry determination by powder X-ray diffraction analysis and NMR spectroscopy residual dipolar couplings. Angewandte Chemie (International Ed. in English). 48: 5670-4. PMID 19554575 DOI: 10.1002/Anie.200900760  1
2009 Purwanto W, Zhang S, Krakauer H. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states. The Journal of Chemical Physics. 130: 094107. PMID 19275396 DOI: 10.1063/1.3077920  1
2009 Purwanto W, Krakauer H, Zhang S. Pressure-induced diamond to β -tin transition in bulk silicon: A quantum Monte Carlo study Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.214116  1
2008 Kwee H, Zhang S, Krakauer H. Finite-size correction in many-body electronic structure calculations. Physical Review Letters. 100: 126404. PMID 18517892 DOI: 10.1103/Physrevlett.100.126404  1
2008 Purwanto W, Al-Saidi WA, Krakauer H, Zhang S. Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F(2). The Journal of Chemical Physics. 128: 114309. PMID 18361573 DOI: 10.1063/1.2838983  1
2008 Esler KP, Kim J, Ceperley DM, Purwanto W, Walter EJ, Krakauer H, Zhang S, Kent PRC, Hennig G, Umrigar C, Bajdich M, Koloren? J, Mitas L, Srinivasan A. Quantum Monte Carlo algorithms for electronic structure at the petascale; The Endstation project Journal of Physics: Conference Series. 125. DOI: 10.1088/1742-6596/125/1/012057  1
2008 Blinc R, Laguta VV, Zalar B, Itoh M, Krakauer H. 17O quadrupole coupling and the origin of ferroelectricity in isotopically enriched BaTiO3 and SrTiO3 Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/8/085204  1
2007 Al-Saidi WA, Zhang S, Krakauer H. Bond breaking with auxiliary-field quantum Monte Carlo. The Journal of Chemical Physics. 127: 144101. PMID 17935380 DOI: 10.1063/1.2770707  1
2007 Al-Saidi WA, Krakauer H, Zhang S. A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets. The Journal of Chemical Physics. 126: 194105. PMID 17523796 DOI: 10.1063/1.2735296  1
2007 Mao D, Walter EJ, Krakauer H, Wu Z. Structural dependence of electric field gradients in Pb (Zr1-x Tix) O3 from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.014105  1
2007 Suewattana M, Purwanto W, Zhang S, Krakauer H, Walter EJ. Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.245123  1
2006 Al-Saidi WA, Krakauer H, Zhang S. Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements. The Journal of Chemical Physics. 125: 154110. PMID 17059242 DOI: 10.1063/1.2357917  1
2006 Al-Saidi WA, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis. The Journal of Chemical Physics. 124: 224101. PMID 16784257 DOI: 10.1063/1.2200885  1
2006 Posternak M, Baldereschi A, Walter EJ, Krakauer H. Wannier functions and Born charge tensors of brookite Ti O2 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.125113  1
2006 Al-Saidi WA, Krakauer H, Zhang S. Auxiliary-field quantum Monte Carlo study of TiO and MnO molecules Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.075103  1
2005 Suewattana M, Krakauer H, Zhang S. Kinetic Monte Carlo simulations of crystal growth in ferroelectric alloys Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.224101  1
2005 Zhang S, Krakauer H, Al-Saidi WA, Suewattana M. Quantum simulations of realistic systems by auxiliary fields Computer Physics Communications. 169: 394-399. DOI: 10.1016/J.Cpc.2005.03.087  1
2004 Cangiani G, Baldereschi A, Posternak M, Krakauer H. Born charge differences of TiO2 polytypes: Multipole expansion of Wannier charge densities Physical Review B - Condensed Matter and Materials Physics. 69: 1211011-1211014. DOI: 10.1103/Physrevb.69.121101  1
2003 Zhang S, Krakauer H. Quantum Monte Carlo method using phase-free random walks with slater determinants. Physical Review Letters. 90: 136401. PMID 12689312 DOI: 10.1103/Physrevlett.90.136401  1
2003 Wu Z, Krakauer H. First-principles calculations of piezoelectricity and polarization rotation in Pb(Zr0.5Ti0.5)O3 Physical Review B - Condensed Matter and Materials Physics. 68: 141121-141127. DOI: 10.1103/Physrevb.68.014112  1
2001 Wu Z, Krakauer H. Charge-transfer electrostatic model of compositional order in perovskite alloys Physical Review B - Condensed Matter and Materials Physics. 63: 1841131-1841138. DOI: 10.1103/Physrevb.63.184113  1
2000 Wensell M, Krakauer H. Comparison of [111] and [001] B-site stacking order in PZN-type relaxor ferroelectrics Journal of Physics and Chemistry of Solids. 61: 309-313. DOI: 10.1016/S0022-3697(99)00299-1  1
1999 Wang CZ, Yu R, Krakauer H. First-principles calculations of phonon dispersion and lattice dynamics in La2CuO4 Physical Review B - Condensed Matter and Materials Physics. 59: 9278-9284. DOI: 10.1103/Physrevb.59.9278  1
1999 Krakauer H, Yu R, Wang CZ, Rabe KM, Waghmare UV. Dynamic local distortions in KNbO3 Journal of Physics Condensed Matter. 11: 3779-3787. DOI: 10.1088/0953-8984/11/18/313  1
1999 Sághi-Szabó G, Cohen RE, Krakauer H. First-principles study of piezoelectricity in tetragonal PbTiO3 and PbZr1/2Ti1/2O3 Physical Review B - Condensed Matter and Materials Physics. 59: 12771-12776.  1
1998 Sághi-Szabó G, Cohen RE, Krakauer H. First-principles study of piezoelectricity in PbTiO3 Physical Review Letters. 80: 4321-4324.  1
1997 Posternak M, Baldereschi A, Krakauer H, Resta R. Non-nominal value of the dynamical effective charge in alkaline-earth oxides Physical Review B - Condensed Matter and Materials Physics. 55: R15983-R15986. DOI: 10.1103/Physrevb.55.R15983  1
1997 Lasota C, Wang CZ, Yu R, Krakauer H. Ab initio linear response study of SrTiO3 Ferroelectrics. 194: 109-118. DOI: 10.1080/00150199708016086  1
1997 Wang CZ, Yu R, Krakauer H. Born effective charges, dielectric constants, and lattice dynamics of KNbO3 Ferroelectrics. 194: 97-107.  1
1996 Wang CZ, Yu R, Krakauer H. Pressure dependence of Born effective charges, dielectric constant, and lattice dynamics in SiC Physical Review B - Condensed Matter and Materials Physics. 53: 5430-5437. DOI: 10.1103/Physrevb.53.5430  1
1996 Krakauer H, Yu R, Wang CZ. Wavevector dependence of ferroelectric instabilities in KNbO3 Journal of Physics and Chemistry of Solids. 57: 1409-1412. DOI: 10.1016/0022-3697(96)00006-6  1
1996 Stixrude L, Cohen RE, Rici Yu, Krakauer H. Prediction of phase transition in CaSiO3 perovskite and implications for lower mantle structure American Mineralogist. 81: 1293-1296.  1
1996 Wang CZ, Yu R, Krakauer H. Polarization dependence of Born effective charge and dielectric constant in KNbO3 Physical Review B - Condensed Matter and Materials Physics. 54: 11161-11168.  1
1995 Yu R, Krakauer H. First-principles determination of chain-structure instability in KNbO3 Physical Review Letters. 74: 4067-4070. DOI: 10.1103/Physrevlett.74.4067  1
1995 Yu R, Wang CZ, Krakauer H. Lattice dynamics of ferroelectrics using the lapw linear response method: Application to knb03 Ferroelectrics. 164: 161-167. DOI: 10.1080/00150199508221838  1
1995 Krakauer H, Yu R, Wang C‐. Ab initio linear response calculations of lattice dynamics using an LAPW basis International Journal of Quantum Chemistry. 56: 131-136. DOI: 10.1002/Qua.560560813  1
1994 Wang CZ, Yu R, Krakauer H. First principles linear response calculations of lattice dynamics for CuCl Physical Review Letters. 72: 368-371. DOI: 10.1103/Physrevlett.72.368  1
1994 Yu R, Krakauer H. Linear-response calculations within the linearized augmented plane-wave method Physical Review B. 49: 4467-4477. DOI: 10.1103/PhysRevB.49.4467  1
1994 Liu AY, Singh DJ, Krakauer H. Linearized-augmented-plane-wave method with Car-Parrinello scaling Physical Review B. 49: 17424-17427. DOI: 10.1103/Physrevb.49.17424  1
1994 Krakauer H, Yu R, Wang CZ. Ab initio lapw linear response method for ferroelectrics Ferroelectrics. 151: 39-47. DOI: 10.1080/00150199408244721  1
1993 Krakauer H, Pickett WE, Cohen RE. Large calculated electron-phonon interactions in La2-xMxCuO4 Physical Review B. 47: 1002-1015. DOI: 10.1103/PhysRevB.47.1002  1
1993 Pickett WE, Krakauer H, Cohen RE. Electron-phonon coupling in high temperature superconductors: The connection to superconducting behavior Applied Superconductivity. 1: 251-262. DOI: 10.1016/0964-1807(93)90236-U  1
1993 Singh DJ, Krakauer H, Haas C, Pickett WE. Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2·e- Nature. 365: 39-42.  1
1993 Singh DJ, Krakauer H, Haas C, Pickett WE. Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2 · e- Nature. 365.  1
1992 Singh DJ, Krakauer H, Haas C, Liu AY. Projector-basis technique and Car-Parrinello scaling in mixed-basis, linearized-augmented-plane-wave, and extended linearized-augmented-plane-wave electronic-structure methods Physical Review B. 46: 13065-13072. DOI: 10.1103/PhysRevB.46.13065  1
1992 Yu R, Krakauer H, Singh D. Equilibrium geometry and electronic structure of the low-temperature W(001) surface Physical Review B. 45: 8671-8678. DOI: 10.1103/Physrevb.45.8671  1
1992 Krakauer H, Yu R, Zhang Q, Haas C, Singh D, Liu A. Linear response calculations using lapw and mixed basis methods Ferroelectrics. 136: 105-112. DOI: 10.1080/00150199208016070  1
1992 Cohen RE, Krakauer H. Electronic structure studies of the differences in ferroelectric behavior of batio3 and pbtio3 Ferroelectrics. 136: 65-83. DOI: 10.1080/00150199208016067  1
1992 Pickett WE, Krakauer H, Cohen RE, Singh DJ. Fermi surfaces, fermi liquids, and high-temperature superconductors Science. 255: 46-54.  1
1991 Pickett WE, Cohen RE, Krakauer H. Lattice instabilities, isotope effect, and high-Tc superconductivity in La2-xBaxCuO4 Physical Review Letters. 67: 228-231. DOI: 10.1103/Physrevlett.67.228  1
1991 Yu R, Singh D, Krakauer H. All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method Physical Review B. 43: 6411-6422. DOI: 10.1103/Physrevb.43.6411  1
1991 Chen J, Krakauer H, Singh DJ. Surface strain of tungsten (001) Physical Review B. 43: 2398-2400. DOI: 10.1103/Physrevb.43.2398  1
1991 Singh D, Krakauer H. H-point phonon in molybdenum: Superlinearized augmented-plane-wave calculations Physical Review B. 43: 1441-1445. DOI: 10.1103/PhysRevB.43.1441  1
1991 Singh DJ, Pickett WE, Krakauer H. Gradient-corrected density functionals: Full-potential calculations for iron Physical Review B. 43: 11628-11634. DOI: 10.1103/Physrevb.43.11628  1
1991 Boyer LL, Cohen RE, Edwardson PJ, Krakauer H. First principles calculations for polarized crystals Ferroelectrics. 117: 233-243. DOI: 10.1080/00150199108222419  1
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  1
1991 Pickett WE, Cohen RE, Krakauer H. Electronic structure and electron-phonon coupling in layered copper oxide superconductors Physica B: Physics of Condensed Matter. 169: 45-50. DOI: 10.1016/0921-4526(91)90206-T  1
1990 Cohen RE, Pickett WE, Krakauer H. Erratum: First-principles phonon calculations for La 2 CuO 4 [Phys. Rev. lett. 62, 831 (1989)] Physical Review Letters. 64: 3102. DOI: 10.1103/Physrevlett.64.3102  1
1990 Pickett WE, Cohen RE, Krakauer H. Precise band structure and Fermi-surface calculation for YBa2Cu3O7: Importance of three-dimensional dispersion Physical Review B. 42: 8764-8767. DOI: 10.1103/Physrevb.42.8764  1
1990 Cohen RE, Krakauer H. Lattice dynamics and origin of ferroelectricity in BaTiO3: Linearized-augmented-plane-wave total-energy calculations Physical Review B. 42: 6416-6423. DOI: 10.1103/Physrevb.42.6416  1
1990 Wentzcovitch RM, Krakauer H. Martensitic transformation of Ca Physical Review B. 42: 4563-4567. DOI: 10.1103/Physrevb.42.4563  1
1990 Feldman JL, Klein BM, Mehl MJ, Krakauer H. Metallization pressure for NaCl in the B2 structure Physical Review B. 42: 2752-2760. DOI: 10.1103/PhysRevB.42.2752  1
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  1
1990 Cohen RE, Krakauer H. Linearized augmented plane wave total energy calculations for ferroelectric bati03 Ferroelectrics. 111: 57-61. DOI: 10.1080/00150199008217601  1
1990 Boyer LL, Cohen RE, Krakauer H, Smith WA. First principles calculations for ferroelectrics – a vision Ferroelectrics. 111: 1-7. DOI: 10.1080/00150199008217593  1
1990 Cohen RE, Pickett WE, Krakauer H. Theoretical determination of strong electron-phonon coupling in YBa2Cu3O7 Physical Review Letters. 64: 2575-2578. DOI: 10.1016/S0921-4526(09)80114-2  1
1990 Pickett WE, Krakauer H, Cohen RE. Quasiparticle scattering across the fermi surface in La2-xMxCuO4 Physica B: Condensed Matter. 165: 1055-1056. DOI: 10.1016/S0921-4526(09)80113-0  1
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  1
1990 Krakauer H, Cohen RE, Pickett WE. Evidence of strong electron–phonon coupling in the high Tc copper oxide superconductors International Journal of Quantum Chemistry. 38: 693-699. DOI: 10.1002/Qua.560382468  1
1990 Cohen RE, Pickett WE, Lu H, Krakauer H. Theoretical determination of strong electron-phonon coupling in YbA2Cu3O7 Physica B: Condensed Matter. 165: 1057-1058.  1
1989 Ashkenazi J, Pickett WE, Krakauer H, Wang CS, Klein BM, Chubb SR. Ashkenazi et al. reply. Physical Review Letters. 63: 2533. PMID 10040913 DOI: 10.1103/Physrevlett.63.2533  1
1989 Ashkenazi J, Pickett WE, Krakauer H, Wang CS, Klein BM, Chubb SR. Ground state of trans-polyacetylene and the Peierls mechanism. Physical Review Letters. 62: 2016-2019. PMID 10039835 DOI: 10.1103/Physrevlett.62.2016  1
1989 Singh D, Pickett WE, Cohen RE, Krakauer H, Berko S. Positron annihilation in high-Tc superconductors. Physical Review. B, Condensed Matter. 39: 9667-9670. PMID 9947723 DOI: 10.1103/Physrevb.39.9667  1
1989 Ashkenazi J, Pickett WE, Krakauer H, Wang CS, Klein BM, Chubb SR. Ashkenazi et al. reply Physical Review Letters. 63: 2533. DOI: 10.1103/PhysRevLett.63.2533  1
1989 Cohen RE, Pickett WE, Krakauer H. First-principles phonon calculations for La2CuO4 Physical Review Letters. 62: 831-834. DOI: 10.1103/Physrevlett.62.831  1
1989 Ashkenazi J, Pickett WE, Krakauer H, Wang CS, Klein BM, Chubb SR. Ground state of trans-polyacetylene and the Peierls mechanism Physical Review Letters. 62: 2016-2019. DOI: 10.1103/PhysRevLett.62.2016  1
1989 Roelofs LD, Ramseyer T, Taylor LL, Singh D, Krakauer H. Monte Carlo study of the W(001) surface reconstruction transition based on total-energy calculations Physical Review B. 40: 9147-9154. DOI: 10.1103/PhysRevB.40.9147  1
1989 Lu ZW, Singh DJ, Krakauer H. Ground-state properties of fcc and bcc lanthanum Physical Review B. 39: 4921-4925. DOI: 10.1103/Physrevb.39.4921  1
1989 Lu ZW, Singh D, Krakauer H. Total-energy study of the equation of state of HgTe and HgSe Physical Review B. 39: 10154-10161. DOI: 10.1103/Physrevb.39.10154  1
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  1
1989 Singh D, Pickett WE, Krakauer H. Electronic structure of CaCuO2, parent of the high-Tc superconductors Physica C: Superconductivity and Its Applications. 162: 1431-1432. DOI: 10.1016/0921-4534(89)90757-0  1
1989 Pickett WE, Krakauer H, Cohen RE, Singh a. Electronic structure of the copper oxides: Band picture versus correlated behavior Physica C: Superconductivity and Its Applications. 162: 1419-1424. DOI: 10.1016/0921-4534(89)90754-5  1
1989 Singh D, Krakauer H. Electronic structure and bonding of the Cu/W(001) surface alloy Surface Science. 216: 303-310. DOI: 10.1016/0039-6028(89)90659-6  1
1988 von Stetten EC, Berko S, Li XS, Lee RR, Brynestad J, Singh D, Krakauer H, Pickett WE, Cohen RE. High sensitivity of positrons to oxygen vacancies and to copper-oxygen chain disorder in YBa2Cu Physical Review Letters. 60: 2198-2201. PMID 10038285 DOI: 10.1103/Physrevlett.60.2198  1
1988 Cohen RE, Pickett WE, Boyer LL, Krakauer H. Ionic contributions to lattice instabilities and phonon dispersion in La2CuO4 Physical Review Letters. 60: 817-820. DOI: 10.1103/Physrevlett.60.817  1
1988 Krakauer H, Pickett WE. Effect of bismuth on high-Tc cuprate superconductors: Electronic structure of Bi2Sr2CaCu2O8 Physical Review Letters. 60: 1665-1667. DOI: 10.1103/Physrevlett.60.1665  1
1988 Pickett WE, Krakauer H, Allen PB. Smooth Fourier interpolation of periodic functions Physical Review B. 38: 2721-2726. DOI: 10.1103/Physrevb.38.2721  1
1988 Chen J, Singh D, Krakauer H. Local-density description of antiferromagnetic Cr Physical Review B. 38: 12834-12836. DOI: 10.1103/Physrevb.38.12834  1
1988 Allen PB, Pickett WE, Krakauer H. Anisotropic normal-state transport properties predicted and analyzed for high-Tc oxide superconductors Physical Review B. 37: 7482-7490. DOI: 10.1103/Physrevb.37.7482  1
1988 Singh D, Krakauer H. Bonding and reconstruction of the W(001) surface Physical Review B. 37: 3999-4006. DOI: 10.1103/Physrevb.37.3999  1
1988 Chen J, Boyer LL, Krakauer H, Mehl MJ. Elastic constants of NbC and MoN: Instability of B1-MoN Physical Review B. 37: 3295-3298. DOI: 10.1103/Physrevb.37.3295  1
1988 Lu ZW, Singh DJ, Krakauer H. Local-density-approximation study of LaS and SmS Physical Review B. 37: 10045-10049. DOI: 10.1103/Physrevb.37.10045  1
1988 Mehl MJ, Cohen RE, Krakauer H. Linearized augmented plane wave electronic structure calculations for MgO and CaO Journal of Geophysical Research. 93: 8009-8022. DOI: 10.1029/Jb093Ib07P08009  1
1988 Cohen RE, Pickett WE, Krakauer H, Boyer LL. First principles calculations of lattice dynamics and ionicity in La2CuO4 and YBa2Cu3O7 Physica C: Superconductivity and Its Applications. 153: 202-203. DOI: 10.1016/0921-4534(88)90552-7  1
1988 Cohen RE, Pickett WE, Krakauer H, Boyer LL. Applications of ionic models to the high-temperature superconductor La2CuO4 Physica B+C. 150: 61-73. DOI: 10.1016/0378-4363(88)90107-6  1
1988 Krakauer H, Pickett WE, Cohen RE. Analysis of electronic structure and charge density of the high-temperature superconductor YBa2Cu3O7 Journal of Superconductivity. 1: 111-141. DOI: 10.1007/Bf00617955  1
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.  1
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  1
1987 Feldman JL, Mehl MJ, Krakauer H. Sodium chloride structural properties: Linearized augmented-plane-wave calculations and pressure calibration. Physical Review. B, Condensed Matter. 35: 6395-6398. PMID 9940873 DOI: 10.1103/Physrevb.35.6395  1
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  1
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  1
1987 Lu ZW, Singh D, Krakauer H. Equilibrium properties of hcp titanium and zirconium Physical Review B. 36: 7335-7341. DOI: 10.1103/Physrevb.36.7335  1
1987 Norman MR, Pickett WE, Krakauer H, Wang CS. Local-density prediction of the Fermi surface of UBe13 Physical Review B. 36: 4058-4061. DOI: 10.1103/PhysRevB.36.4058  1
1987 Allen PB, Pickett WE, Krakauer H. Band-theory analysis of anisotropic transport in La2CuO4-based superconductors Physical Review B. 36: 3926-3929. DOI: 10.1103/Physrevb.36.3926  1
1987 Wang CS, Norman MR, Albers RC, Boring AM, Pickett WE, Krakauer H, Christensen NE. Fermi surface of UPt3 within the local-density approximation Physical Review B. 35: 7260-7263. DOI: 10.1103/PhysRevB.35.7260  1
1987 Pickett WE, Krakauer H, Papaconstantopoulos DA, Boyer LL. Evidence of conventional superconductivity in La-Ba-Cu-O compounds Physical Review B. 35: 7252-7255. DOI: 10.1103/PhysRevB.35.7252  1
1987 Ashkenazi J, Pickett WE, Klein BM, Krakauer H, Wang CS. First principles investigation on the validity of the peierls mechanism for the dimerization energy of trans-polyacetylene Synthetic Metals. 21: 301-304. DOI: 10.1016/0379-6779(87)90102-0  1
1987 Grimes R, Krakauer H, Lewis J, Simon H, Wei SH. The solution of large dense generalized eigenvalue problems on the cray X-MP/24 with SSD Journal of Computational Physics. 69: 471-481. DOI: 10.1016/0021-9991(87)90178-1  1
1987 Cohen RE, Pickett WE, Krakauer H, Boyer LL. APPLICATIONS OF IONIC MODELS TO THE HIGH-TEMPERATURE SUPERCONDUCTOR La//2CuO//4 Physica B: Physics of Condensed Matter &Amp; C: Atomic, Molecular and Plasma Physics, Optics. 150: 61-73.  1
1986 Singh D, Wei SH, Krakauer H. Instability of the ideal tungsten (001) surface Physical Review Letters. 57: 3292-3295. DOI: 10.1103/Physrevlett.57.3292  1
1986 Singh D, Krakauer H, Wang CS. Accelerating the convergence of self-consistent linearized augmented-plane-wave calculations Physical Review B. 34: 8391-8393. DOI: 10.1103/Physrevb.34.8391  1
1986 Pickett WE, Krakauer H, Wang CS. Electron-phonon coupling in UBe13: Absence of conventional superconductivity Physical Review B. 34: 6546-6549. DOI: 10.1103/PhysRevB.34.6546  1
1986 Wang CS, Krakauer H, Pickett WE. Unconventional superconductivity and normal-state properties in the heavy fermion superconductor UPt3 Journal of Physics F: Metal Physics. 16. DOI: 10.1088/0305-4608/16/12/003  1
1985 Wang CS, Klein BM, Krakauer H. Theory of magnetic and structural ordering in iron Physical Review Letters. 54: 1852-1855. DOI: 10.1103/Physrevlett.54.1852  1
1985 Wimmer E, Krakauer H, Freeman AJ. Theory of Surface Electronic Structure Advances in Electronics and Electron Physics. 65: 357-434. DOI: 10.1016/S0065-2539(08)60881-1  0.56
1985 Boyer LL, Krakauer H, Klein BM, Pickett WE, Wang CS. High temperature superconductivity for MoN?: A theoretical study of the relative stability of hexagonal and cubic MoN Physica B+C. 135: 252-256. DOI: 10.1016/0378-4363(85)90478-4  1
1985 Wang CS, Krakauer H, Pickett WE. Electronic structure and mass enhancement of the heavy fermion superconductor UPt3 Physica B+C. 135: 34-37. DOI: 10.1016/0378-4363(85)90428-0  1
1985 Pickett WE, Krakauer H, Wang CS. Electronic structure study of the heavy fermion superconductor UBe13 Physica B+C. 135: 31-33. DOI: 10.1016/0378-4363(85)90427-9  1
1984 Posternak M, Krakauer H, Freeman AJ, Koelling DD. Erratum: Self-consistent electronic structure of surfaces: Surface states and surface resonances on W(001) (Physical Review B (1984) 30, 8, (4828)) Physical Review B. 30. DOI: 10.1103/Physrevb.30.4828.2  0.56
1983 Ma CQ, Ramana MV, Cooper BR, Krakauer H. Theory of electronic structure of copper overlayers on transition metal substrates Journal of Vacuum Science and Technology a: Vacuum, Surfaces and Films. 1: 1095-1098. DOI: 10.1116/1.572053  1
1982 Wimmer E, Freeman AJ, Weinert M, Krakauer H, Hiskes JR, Karo AM. Cesiation of W(001): Work function lowering by multiple dipole formation Physical Review Letters. 48: 1128-1131. DOI: 10.1103/Physrevlett.48.1128  0.56
1980 Ma CQ, Krakauer H, Cooper BR. LINEAR MUFFIN-TIN-ORBITAL CALCULATION OF SURFACE ELECTRONIC STRUCTURE: APPLICATION TO RUTHENIUM Journal of Vacuum Science &Amp; Technology. 18: 581-584. DOI: 10.1116/1.570818  1
1976 Mader J, Berko S, Krakauer H, Bansil A. Electronic momentum densities by two-dimensional angular correlation of annihilation radiation in aluminum Physical Review Letters. 37: 1232-1236. DOI: 10.1103/PhysRevLett.37.1232  1
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