| Year |
Citation |
Score |
| 2024 |
Zope RR, Yamamoto Y, Baruah T. How well do one-electron self-interaction-correction methods perform for systems with fractional electrons? The Journal of Chemical Physics. 160. PMID 38385511 DOI: 10.1063/5.0182773 |
0.442 |
|
| 2023 |
Pederson MR, Withanage KPK, Hooshmand Z, Johnson AI, Baruah T, Yamamoto Y, Zope RR, Kao DY, Shukla PB, Johnson JK, Peralta JE, Jackson KA. Use of FLOSIC for understanding anion-solvent interactions. The Journal of Chemical Physics. 159. PMID 37861122 DOI: 10.1063/5.0172300 |
0.411 |
|
| 2023 |
Ufondu P, Chang PH, Baruah T, Zope RR. Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods. The Journal of Chemical Physics. 158. PMID 37096854 DOI: 10.1063/5.0139728 |
0.483 |
|
| 2023 |
Yamamoto Y, Baruah T, Chang PH, Romero S, Zope RR. Self-consistent implementation of locally scaled self-interaction-correction method. The Journal of Chemical Physics. 158: 064114. PMID 36792502 DOI: 10.1063/5.0130436 |
0.517 |
|
| 2023 |
Shukla PB, Mishra P, Baruah T, Zope RR, Jackson KA, Johnson JK. How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions? The Journal of Physical Chemistry. A. 127: 1750-1759. PMID 36787213 DOI: 10.1021/acs.jpca.2c07894 |
0.373 |
|
| 2023 |
Romero S, Baruah T, Zope RR. Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study. The Journal of Chemical Physics. 158: 054305. PMID 36754787 DOI: 10.1063/5.0133999 |
0.368 |
|
| 2022 |
Mishra P, Yamamoto Y, Chang PH, Nguyen DB, Peralta JE, Baruah T, Zope RR. Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods. The Journal of Physical Chemistry. A. PMID 35302373 DOI: 10.1021/acs.jpca.1c10354 |
0.457 |
|
| 2022 |
Mishra P, Yamamoto Y, Johnson JK, Jackson KA, Zope RR, Baruah T. Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods. The Journal of Chemical Physics. 156: 014306. PMID 34998352 DOI: 10.1063/5.0070893 |
0.426 |
|
| 2021 |
Akter S, Vargas JA, Sharkas K, Peralta JE, Jackson KA, Baruah T, Zope RR. How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? Physical Chemistry Chemical Physics : Pccp. 23: 18678-18685. PMID 34612405 DOI: 10.1039/d0cp06512a |
0.446 |
|
| 2021 |
Diaz CM, Basurto L, Adhikari S, Yamamoto Y, Ruzsinszky A, Baruah T, Zope RR. Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method. The Journal of Chemical Physics. 155: 064109. PMID 34391355 DOI: 10.1063/5.0056561 |
0.492 |
|
| 2021 |
Akter S, Yamamoto Y, Zope RR, Baruah T. Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations. The Journal of Chemical Physics. 154: 114305. PMID 33752350 DOI: 10.1063/5.0041265 |
0.478 |
|
| 2021 |
Bhattarai P, Santra B, Wagle K, Yamamoto Y, Zope RR, Ruzsinszky A, Jackson KA, Perdew JP. Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction. The Journal of Chemical Physics. 154: 094105. PMID 33685179 DOI: 10.1063/5.0041646 |
0.538 |
|
| 2021 |
Diaz CM, Suryanarayana P, Xu Q, Baruah T, Pask JE, Zope RR. Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals. The Journal of Chemical Physics. 154: 084112. PMID 33639752 DOI: 10.1063/5.0031341 |
0.454 |
|
| 2021 |
Romero S, Yamamoto Y, Baruah T, Zope RR. Local self-interaction correction method with a simple scaling factor. Physical Chemistry Chemical Physics : Pccp. 23: 2406-2418. PMID 33459302 DOI: 10.1039/d0cp06282k |
0.728 |
|
| 2021 |
Withanage KPK, Bhattarai P, Peralta JE, Zope RR, Baruah T, Perdew JP, Jackson KA. Density-related properties from self-interaction corrected density functional theory calculations. The Journal of Chemical Physics. 154: 024102. PMID 33445898 DOI: 10.1063/5.0034545 |
0.478 |
|
| 2020 |
Akter S, Yamamoto Y, Diaz CM, Jackson KA, Zope RR, Baruah T. Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods. The Journal of Chemical Physics. 153: 164304. PMID 33138422 DOI: 10.1063/5.0025601 |
0.492 |
|
| 2020 |
Yamamoto Y, Salcedo A, Diaz CM, Alam MS, Baruah T, Zope RR. Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA. Physical Chemistry Chemical Physics : Pccp. PMID 32760934 DOI: 10.1039/D0Cp02717K |
0.57 |
|
| 2020 |
Bhattarai P, Wagle K, Shahi C, Yamamoto Y, Romero S, Santra B, Zope RR, Peralta JE, Jackson KA, Perdew JP. A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation. The Journal of Chemical Physics. 152: 214109. PMID 32505149 DOI: 10.1063/5.0010375 |
0.724 |
|
| 2020 |
Sharkas K, Wagle K, Santra B, Akter S, Zope RR, Baruah T, Jackson KA, Perdew JP, Peralta JE. Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America. PMID 32393631 DOI: 10.1073/Pnas.1921258117 |
0.483 |
|
| 2020 |
Yamamoto Y, Romero S, Baruah T, Zope RR. Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions. The Journal of Chemical Physics. 152: 174112. PMID 32384855 DOI: 10.1063/5.0004738 |
0.725 |
|
| 2020 |
Vargas J, Ufondu P, Baruah T, Yamamoto Y, Jackson KA, Zope RR. Importance of self-interaction-error removal in density functional calculations on water cluster anions. Physical Chemistry Chemical Physics : Pccp. PMID 31898696 DOI: 10.1039/C9Cp06106A |
0.534 |
|
| 2019 |
Zope RR, Yamamoto Y, Diaz CM, Baruah T, Peralta JE, Jackson KA, Santra B, Perdew JP. A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. The Journal of Chemical Physics. 151: 214108. PMID 31822080 DOI: 10.1063/1.5129533 |
0.607 |
|
| 2019 |
Johnson AI, Withanage KPK, Sharkas K, Yamamoto Y, Baruah T, Zope RR, Peralta JE, Jackson KA. The effect of self-interaction error on electrostatic dipoles calculated using density functional theory. The Journal of Chemical Physics. 151: 174106. PMID 31703485 DOI: 10.1063/1.5125205 |
0.516 |
|
| 2019 |
Yamamoto Y, Diaz CM, Basurto L, Jackson KA, Baruah T, Zope RR. Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional. The Journal of Chemical Physics. 151: 154105. PMID 31640373 DOI: 10.1063/1.5120532 |
0.542 |
|
| 2019 |
Shahi C, Bhattarai P, Wagle K, Santra B, Schwalbe S, Hahn T, Kortus J, Jackson KA, Peralta JE, Trepte K, Lehtola S, Nepal NK, Myneni H, Neupane B, Adhikari S, ... ... Zope RR, et al. Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of Chemical Physics. 150: 174102. PMID 31067878 DOI: 10.1063/1.5087065 |
0.584 |
|
| 2019 |
Withanage KPK, Akter S, Shahi C, Joshi RP, Diaz C, Yamamoto Y, Zope R, Baruah T, Perdew JP, Peralta JE, Jackson KA. Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction Physical Review A. 100. DOI: 10.1103/Physreva.100.012505 |
0.374 |
|
| 2018 |
Trepte K, Schwalbe S, Hahn T, Kortus J, Kao DY, Yamamoto Y, Baruah T, Zope RR, Withanage KPK, Peralta JE, Jackson KA. Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. Journal of Computational Chemistry. PMID 30589095 DOI: 10.1002/Jcc.25767 |
0.403 |
|
| 2018 |
Sharkas K, Li L, Trepte K, Withanage KPK, Joshi RP, Zope RR, Baruah T, Johnson JK, Jackson KA, Peralta JE. Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction Corrected Density Functional Approximation. The Journal of Physical Chemistry. A. PMID 30412407 DOI: 10.1021/Acs.Jpca.8B09940 |
0.519 |
|
| 2018 |
Joshi RP, Trepte K, Withanage KPK, Sharkas K, Yamamoto Y, Basurto L, Zope RR, Baruah T, Jackson KA, Peralta JE. Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings. The Journal of Chemical Physics. 149: 164101. PMID 30384709 DOI: 10.1063/1.5050809 |
0.426 |
|
| 2018 |
Amerikheirabadi F, Diaz C, Mohan N, Zope RR, Baruah T. A DFT analysis of the ground and charge-transfer excited states of ScN@I-C fullerene coupled with metal-free and zinc-phthalocyanine. Physical Chemistry Chemical Physics : Pccp. PMID 30288541 DOI: 10.1039/C8Cp03849J |
0.375 |
|
| 2018 |
Withanage KPK, Trepte K, Peralta JE, Baruah T, Zope R, Jackson KA. On the question of the total energy in the Fermi-Löwdin orbital self-interaction correction method. Journal of Chemical Theory and Computation. PMID 29986131 DOI: 10.1021/Acs.Jctc.8B00344 |
0.557 |
|
| 2018 |
Bhusal S, Baruah T, Yamamoto Y, Zope RR. Electronic structure calculation of vanadium-and scandium-based endohedral fullerenes VSc2
N@C2n
(2n
= 70, 76, 78, 80) International Journal of Quantum Chemistry. 118: e25785. DOI: 10.1002/Qua.25785 |
0.325 |
|
| 2017 |
Ramos-Castillo CM, Reveles JU, Cifuentes-Quintal ME, Zope RR, Coss Rd. Hydrogen storage in bimetallic Ti–Al sub-nanoclusters supported on graphene Physical Chemistry Chemical Physics. 19: 21174-21184. PMID 28752877 DOI: 10.1039/C7Cp03347H |
0.335 |
|
| 2017 |
Bhusal S, Lopez JAR, Reveles JU, Baruah T, Zope RR. Electronic and Structural Study of ZnxSx [x = 12, 16, 24, 28, 36, 48, 96, and 108] Cage Structures. The Journal of Physical Chemistry. A. PMID 28418252 DOI: 10.1021/Acs.Jpca.6B12172 |
0.475 |
|
| 2017 |
Cowart JS, Liman C, Garnica A, Page ZA, Lim E, Zope RR, Baruah T, Hawker CJ, Chabinyc ML. Donor-fullerene dyads for energy cascade organic solar cells Inorganica Chimica Acta. 468: 192-202. DOI: 10.1016/J.Ica.2017.07.008 |
0.316 |
|
| 2017 |
Reveles JU, KC G, Baruah T, Zope RR. Diels-Alder addition to H2O@C60 an electronic and structural study Chemical Physics Letters. 685: 198-204. DOI: 10.1016/J.Cplett.2017.07.062 |
0.305 |
|
| 2016 |
Baruah T, Garnica A, Paggen M, Basurto L, Zope RR. Density functional study of the electronic structure of dye-functionalized fullerenes and their model donor-acceptor complexes containing P3HT. The Journal of Chemical Physics. 144: 144304. PMID 27083718 DOI: 10.1063/1.4944469 |
0.437 |
|
| 2016 |
Bhusal S, Zope RR, Bhatta S, Baruah T. Electronic and Optical Properties of VSc2N@C68 Fullerene The Journal of Physical Chemistry C. 120: 27813-27819. DOI: 10.1021/Acs.Jpcc.6B08904 |
0.423 |
|
| 2016 |
Reveles JU, Karle NN, Baruah T, Zope RR. Electronic and Structural Properties of C60 and Sc3N@C80 Supported on Graphene Nanoflakes The Journal of Physical Chemistry C. 120: 26083-26092. DOI: 10.1021/Acs.Jpcc.6B07405 |
0.389 |
|
| 2016 |
Basurto L, Zope RR, Baruah T. Density functional investigation of the electronic structure and charge transfer excited states of a multichromophoric antenna Chemical Physics. 469: 1-8. DOI: 10.1016/J.Chemphys.2016.02.001 |
0.453 |
|
| 2015 |
Zope RR, Bhusal S, Basurto L, Baruah T, Jackson K. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions. The Journal of Chemical Physics. 143: 084306. PMID 26328842 DOI: 10.1063/1.4928079 |
0.339 |
|
| 2015 |
Basurto L, Amerikheirabadi F, Zope R, Baruah T. The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C80 (I(h)) fullerenes-Zn-tetraphenyl porphyrin dyads. Physical Chemistry Chemical Physics : Pccp. 17: 5832-9. PMID 25631359 DOI: 10.1039/C4Cp04583A |
0.381 |
|
| 2015 |
Reveles JU, Baruah T, Zope RR. Al12Cu superatom as stable building block of ionic salts Journal of Physical Chemistry C. 119: 5129-5137. DOI: 10.1021/Jp512261V |
0.397 |
|
| 2015 |
Ramos-Castillo CM, Reveles JU, Zope RR, Coss Rd. Palladium Clusters Supported on Graphene Monovacancies for Hydrogen Storage Journal of Physical Chemistry C. 119: 8402-8409. DOI: 10.1021/Acs.Jpcc.5B02358 |
0.358 |
|
| 2014 |
Olguin M, Basurto L, Zope RR, Baruah T. The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triad. The Journal of Chemical Physics. 140: 204309. PMID 24880282 DOI: 10.1063/1.4876075 |
0.354 |
|
| 2013 |
Olguin M, Zope RR, Baruah T. Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyads. The Journal of Chemical Physics. 138: 074306. PMID 23445008 DOI: 10.1063/1.4790623 |
0.362 |
|
| 2013 |
Lewis GR, Bunting WE, Zope RR, Dunlap BI, Ellenbogen JC. Smooth Scaling of Valence Electronic Properties in Fullerenes: From One Carbon Atom, to C60, to Graphene Physical Review A. 87. DOI: 10.1103/Physreva.87.052515 |
0.47 |
|
| 2013 |
Casillas R, Baruah T, Zope RR. Geometry and electronic structure of neutral and charged B21 clusters Chemical Physics Letters. 557: 15-18. DOI: 10.1016/J.Cplett.2012.10.076 |
0.385 |
|
| 2012 |
Zope RR, Olguin M, Baruah T. Charge transfer excitations in cofacial fullerene-porphyrin complexes. The Journal of Chemical Physics. 137: 084317. PMID 22938243 DOI: 10.1063/1.4739272 |
0.361 |
|
| 2012 |
Baruah T, Olguin M, Zope RR. Charge transfer excited state energies by perturbative delta self consistent field method. The Journal of Chemical Physics. 137: 084316. PMID 22938242 DOI: 10.1063/1.4739269 |
0.395 |
|
| 2012 |
Hikmat BC, Baruah T, Zope RR. Low-lying planar isomers of neutral and charged B 22 clusters Journal of Physics B: Atomic, Molecular and Optical Physics. 45. DOI: 10.1088/0953-4075/45/22/225101 |
0.374 |
|
| 2011 |
Olguin M, Baruah T, Zope RR. Calcium coated B80 fullerene: A study on various coating configurations of B80 Chemical Physics Letters. 514: 66-69. DOI: 10.1016/J.Cplett.2011.07.094 |
0.324 |
|
| 2011 |
Zope RR, Baruah T. Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet Chemical Physics Letters. 501: 193-196. DOI: 10.1016/J.Cplett.2010.11.012 |
0.368 |
|
| 2010 |
Zope RR, Baruah T, Richardson SL, Pederson MR, Dunlap BI. Optical excitation energies, Stokes shift, and spin-splitting of C24H72Si14. The Journal of Chemical Physics. 133: 034301. PMID 20649324 DOI: 10.1063/1.3459056 |
0.515 |
|
| 2009 |
Zope RR. The α-boron cages with four-member rings Epl. 85: 68005. DOI: 10.1209/0295-5075/85/68005 |
0.336 |
|
| 2009 |
Zope RR, Baruah T. Dipole polarizability of isovalent carbon and boron cages and fullerenes Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.033410 |
0.371 |
|
| 2009 |
Zope RR, Baruah T, Lau KC, Liu AY, Pederson MR, Dunlap BI. Boron fullerenes: From B80 to hole doped boron sheets Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.161403 |
0.345 |
|
| 2008 |
Baruah T, Pederson MR, Zope RR. Vibrational stability and electronic structure of a B80 fullerene Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.045408 |
0.425 |
|
| 2008 |
Zope RR, Baruah T, Pederson MR, Dunlap BI. Static dielectric response of icosahedral fullerenes from C60 to C2160 characterized by an all-electron density functional theory Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.115452 |
0.35 |
|
| 2008 |
Zope RR. Electronic structure and static dipole polarizability of C60@C240 Journal of Physics B. 41: 85101. DOI: 10.1088/0953-4075/41/8/085101 |
0.313 |
|
| 2008 |
Zope RR, Baruah T, Pederson MR, Dunlap BI. Comparative study of unscreened and screened molecular static linear polarizability in the Hartree-Fock, hybrid-density functional, and density functional models International Journal of Quantum Chemistry. 108: 307-317. DOI: 10.1002/Qua.21458 |
0.443 |
|
| 2007 |
Zope RR, Baruah T, Pederson MR. Polarizabilities of intermediate sized lithium clusters from density-functional theory Journal of Computational Methods in Sciences and Engineering. 7: 495-505. DOI: 10.3233/Jcm-2007-75-614 |
0.403 |
|
| 2007 |
Zope RR. The static dipole polarizability of C70 fullerene Journal of Physics B. 40: 3491-3496. DOI: 10.1088/0953-4075/40/17/015 |
0.382 |
|
| 2006 |
Dunlap BI, Karna SP, Zope RR. Dipole moments from atomic-number-dependent potentials in analytic density-functional theory. The Journal of Chemical Physics. 125: 214104. PMID 17166012 DOI: 10.1063/1.2403854 |
0.438 |
|
| 2006 |
Zope RR, Dunlap BI. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory. The Journal of Chemical Physics. 124: 044107. PMID 16460149 DOI: 10.1063/1.2161176 |
0.535 |
|
| 2006 |
Dunlap BI, Zope RR. Efficient quantum-chemical geometry optimization and the structure of large icosahedral fullerenes Chemical Physics Letters. 422: 451-454. DOI: 10.1016/J.Cplett.2006.02.100 |
0.368 |
|
| 2005 |
Zope RR, Dunlap BI. Slater's Exchange Parameters α for Analytic and Variational Xα Calculations. Journal of Chemical Theory and Computation. 1: 1193-200. PMID 26631663 DOI: 10.1021/Ct050166W |
0.437 |
|
| 2005 |
Harbola MK, Zope RR, Kshirsagar A, Pathak RK. Momentum-space properties from coordinate-space electron density. The Journal of Chemical Physics. 122: 204110. PMID 15945716 DOI: 10.1063/1.1904588 |
0.441 |
|
| 2005 |
Zope RR, Dunlap BI. Electronic structure of fullerenelike cages and finite nanotubes of aluminum nitride Physical Review B. 72: 45439. DOI: 10.1103/Physrevb.72.045439 |
0.403 |
|
| 2005 |
Zope RR, Dunlap BI. Accurate molecular energies by extrapolation of atomic energies using an analytic quantum mechanical model Physical Review B. 71: 193104. DOI: 10.1103/Physrevb.71.193104 |
0.463 |
|
| 2005 |
Zope RR, Baruah T, Pederson MR, Dunlap BI. Theoretical infrared, Raman, and optical spectra of the B36 N36 cage Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.025201 |
0.346 |
|
| 2004 |
Baruah T, Zope RR, Richardson SL, Pederson MR. Electronic structure, vibrational stability, and predicted infrared-Raman spectra of the As20, As @ Ni12, and As @ Ni12 @ As20 clusters. The Journal of Chemical Physics. 121: 11007-15. PMID 15634050 DOI: 10.1063/1.1803539 |
0.458 |
|
| 2004 |
Baruah T, Zope RR, Pederson MR. Molecular structures and vibrations of neutral and anionicCuOx(x=1–3,6)clusters Physical Review A. 69. DOI: 10.1103/Physreva.69.023201 |
0.401 |
|
| 2004 |
Zope RR, Dunlap BI. On the optimal value of α for the Hartree–Fock–Slater method Chemical Physics Letters. 399: 417-421. DOI: 10.1016/J.Cplett.2004.10.037 |
0.375 |
|
| 2004 |
Zope RR, Baruah T, Pederson MR, Dunlap BI. Electronic structure, vibrational stability, infra-red, and Raman spectra of B 24N 24 cages Chemical Physics Letters. 393: 300-304. DOI: 10.1016/J.Cplett.2004.06.047 |
0.354 |
|
| 2004 |
Baruah T, Pederson MR, Zope RR, Beltrán MR. Stability of Asn [n=4, 8, 20, 28, 32, 36, 60] cage structures Chemical Physics Letters. 387: 476-480. DOI: 10.1016/J.Cplett.2004.02.063 |
0.415 |
|
| 2004 |
Zope RR, Dunlap BI. Are hemispherical caps of boron–nitride nanotubes possible? Chemical Physics Letters. 386: 403-407. DOI: 10.1016/J.Cplett.2004.01.094 |
0.344 |
|
| 2003 |
Baruah T, Zope RR, Richardson SL, Pederson MR. Electronic structure and rebonding in the onionlike As @ Ni12 @ As20 cluster Physical Review B - Condensed Matter and Materials Physics. 68: 2414041-2414044. DOI: 10.1103/Physrevb.68.241404 |
0.405 |
|
| 2003 |
Zope RR, Mishin Y. Interatomic potentials for atomistic simulations of the Ti-Al system Physical Review B. 68. DOI: 10.1103/Physrevb.68.024102 |
0.429 |
|
| 2002 |
Dhavale A, Kanhere DG, Blundell SA, Zope RR. Density-functional investigation of the size dependence of the electronic structure of mixed aluminum-sodium clusters Physical Review B. 65: 85402. DOI: 10.1103/Physrevb.65.085402 |
0.405 |
|
| 2001 |
Blaise P, Blundell SA, Guet C, Zope RR. Charge-induced fragmentation of sodium clusters. Physical Review Letters. 87: 63401. PMID 11497828 DOI: 10.1103/Physrevlett.87.063401 |
0.304 |
|
| 2001 |
Baruah T, Kanhere DG, Zope RR. Topological study of charge densities of impurity doped small Li clusters Physical Review A. 63: 63202. DOI: 10.1103/Physreva.63.063202 |
0.382 |
|
| 2001 |
Zope RR, Blundell SA, Guet C, Baruah T, Kanhere DG. Density-functional study of electronic structure and related properties of aluminum-doped sodium clusters Physical Review a - Atomic, Molecular, and Optical Physics. 63: 1-8. DOI: 10.1103/Physreva.63.043202 |
0.495 |
|
| 2001 |
Zope RR, Blundell SA, Baruah T, Kanhere DG. Density functional study of structural and electronic properties of NanMg (1≤n≤12) clusters Journal of Chemical Physics. 115: 2109-2116. DOI: 10.1063/1.1381578 |
0.453 |
|
| 2000 |
Blundell SA, Guet C, Zope RR. Temperature dependence of the polarizability of sodium clusters Physical Review Letters. 84: 4826-4829. PMID 10990808 DOI: 10.1103/Physrevlett.84.4826 |
0.317 |
|
| 2000 |
Baruah T, Zope RR, Kshirsagar A. Full-potential LAPW calculation of magnetic Compton profiles of Ni Physical Review B - Condensed Matter and Materials Physics. 62: 16435-16441. DOI: 10.1103/Physrevb.62.16435 |
0.338 |
|
| 2000 |
Zope RR. Momentum-space properties of atoms: Application of the generalized-gradient approximation Physical Review A. 62: 64501-64501. DOI: 10.1103/Physreva.62.064501 |
0.482 |
|
| 2000 |
Deshpande M, Dhavale A, Zope RR, Chacko S, Kanhere DG. Ground-state geometries and stability of impurity doped clusters: Li n Be and Li n Mg (n=1-12) Physical Review A. 62: 63202. DOI: 10.1103/Physreva.62.063202 |
0.316 |
|
| 1999 |
Baruah T, Zope RR, Kshirsagar A. Full-Potential Lapw Calculation Of Electron Momentum Density And Related Properties Of Li Physical Review B. 60: 10770-10775. DOI: 10.1103/Physrevb.60.10770 |
0.469 |
|
| 1999 |
Zope RR. Positron and positronium affinities in the work-formalism Hartree-Fock approximation Physical Review A. 60: 218-223. DOI: 10.1103/Physreva.60.218 |
0.373 |
|
| 1999 |
Zope RR, Harbola MK, Pathak RK. Atomic Compton profiles within different exchange-only theories European Physical Journal D. 7: 151-155. DOI: 10.1007/S100530050360 |
0.411 |
|
| 1996 |
Harbola MK, Zope RR, Pathak RK. Total atomic energies using indirect-path methods. Physical Review. A. 53: 3652-3655. PMID 9913310 DOI: 10.1103/Physreva.53.3652 |
0.421 |
|
| 1994 |
Baruah T, Zope RR, Kshirsagar A, Pathak RK. Positron binding: A positron-density viewpoint. Physical Review. A. 50: 2191-2196. PMID 9911130 DOI: 10.1103/Physreva.50.2191 |
0.387 |
|
| Show low-probability matches. |