| Year |
Citation |
Score |
| 2024 |
Moore CC, Staroverov VN. Are Exact Exchange-Correlation Potentials Continuous at Atomic Nuclei in Molecules? Journal of Chemical Theory and Computation. 20: 8934-8939. PMID 39352791 DOI: 10.1021/acs.jctc.4c00904 |
0.419 |
|
| 2024 |
Moore CC, Staroverov VN. Jump discontinuities of finite-basis-set exchange-correlation potentials at atomic nuclei. The Journal of Chemical Physics. 161. PMID 39311070 DOI: 10.1063/5.0228216 |
0.379 |
|
| 2024 |
Moore CC, Staroverov VN. Discontinuities of Kinetic Energy Densities within Finite and Complete Basis Sets. The Journal of Physical Chemistry. A. 128: 6019-6025. PMID 38985544 DOI: 10.1021/acs.jpca.4c02712 |
0.433 |
|
| 2024 |
Sizov GN, Staroverov VN. Analytic Construction of One-Electron Reduced Density Matrices from Electron Densities within Finite Basis Sets. Journal of Chemical Theory and Computation. PMID 38836443 DOI: 10.1021/acs.jctc.4c00398 |
0.398 |
|
| 2023 |
Bosko IP, Staroverov VN. Derivation and reinterpretation of the Fermi-Amaldi functional. The Journal of Chemical Physics. 159. PMID 37800642 DOI: 10.1063/5.0166358 |
0.324 |
|
| 2023 |
Oueis Y, Sizov GN, Staroverov VN. Local Potentials Reconstructed within Linearly Independent Product Basis Sets of Increasing Size. The Journal of Physical Chemistry. A. 127: 2664-2669. PMID 36898043 DOI: 10.1021/acs.jpca.3c00119 |
0.313 |
|
| 2022 |
Oueis Y, Staroverov VN. Multiplicative potentials for kinetic energy and exact exchange. The Journal of Chemical Physics. 157: 204107. PMID 36456244 DOI: 10.1063/5.0128508 |
0.424 |
|
| 2022 |
Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, ... ... Staroverov VN, et al. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp. PMID 36269074 DOI: 10.1039/d2cp02827a |
0.443 |
|
| 2022 |
Oueis Y, Staroverov VN. Reconstruction of Exchange-Correlation Potentials from Their Matrix Representations. Journal of Chemical Theory and Computation. 18: 6092-6098. PMID 36094818 DOI: 10.1021/acs.jctc.2c00655 |
0.364 |
|
| 2022 |
Staroverov VN. Noninteracting -Representable Subspaces of Orbitals in the Kohn-Sham Method. The Journal of Physical Chemistry Letters. 13: 6839-6844. PMID 35858485 DOI: 10.1021/acs.jpclett.2c01827 |
0.377 |
|
| 2021 |
Davidson ER, Ortiz JV, Staroverov VN. Publisher's Note: "Complete-active-space extended Koopmans theorem method" [J. Chem. Phys. 155, 051102 (2021)]. The Journal of Chemical Physics. 155: 089901. PMID 34470338 DOI: 10.1063/5.0066239 |
0.373 |
|
| 2021 |
Davidson ER, Ortiz JV, Staroverov VN. Complete-active-space extended Koopmans theorem method. The Journal of Chemical Physics. 155: 051102. PMID 34364362 DOI: 10.1063/5.0058080 |
0.439 |
|
| 2020 |
El-Samman AM, Ospadov E, Staroverov VN. First Ionization Energy as the Asymptotic Limit of the Average Local Electron Energy. Journal of Chemical Theory and Computation. PMID 33073573 DOI: 10.1021/acs.jctc.0c00806 |
0.411 |
|
| 2020 |
El-Samman AM, Staroverov VN. Asymptotic behavior of the average local ionization energy in finite basis sets. The Journal of Chemical Physics. 153: 134109. PMID 33032433 DOI: 10.1063/5.0023459 |
0.362 |
|
| 2020 |
Cappello D, Maar RR, Staroverov VN, Gilroy JB. Optoelectronic Properties of Carbon-Bound Boron Difluoride Hydrazone Dimers. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32142183 DOI: 10.1002/Chem.202000533 |
0.342 |
|
| 2019 |
Kaur J, Ospadov E, Staroverov VN. What is the Accuracy Limit of Adiabatic Linear-Response TDDFT Using Exact Exchange-Correlation Potentials and Approximate Kernels? Journal of Chemical Theory and Computation. PMID 31386366 DOI: 10.1021/Acs.Jctc.9B00618 |
0.527 |
|
| 2019 |
Maar RR, Hoffman NA, Staroverov VN, Gilroy JB. Oxoborane Formation Turns on Formazanate-Based Photoluminescence. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31144367 DOI: 10.1002/Chem.201902419 |
0.332 |
|
| 2018 |
Wang Z, Paquette JA, Staroverov VN, Gilroy JB, Sham TK. X-ray Absorption Near-Edge Structure Spectroscopy of a Stable 6-Oxoverdazyl Radical and Its Diamagnetic Precursor. The Journal of Physical Chemistry. A. PMID 30582809 DOI: 10.1021/Acs.Jpca.8B11639 |
0.303 |
|
| 2018 |
Ospadov E, Tao J, Staroverov VN, Perdew JP. Visualizing atomic sizes and molecular shapes with the classical turning surface of the Kohn-Sham potential. Proceedings of the National Academy of Sciences of the United States of America. PMID 30463943 DOI: 10.1073/Pnas.1814300115 |
0.389 |
|
| 2018 |
Ospadov E, Staroverov VN. Construction of Fermi Potentials from Electronic Wave Functions. Journal of Chemical Theory and Computation. PMID 29965754 DOI: 10.1021/Acs.Jctc.8B00490 |
0.493 |
|
| 2018 |
Maar RR, Catingan SD, Staroverov VN, Gilroy JB. Formazanate Complexes of Hypervalent Group-14 Elements as Precursors to Electronically Stabilized Radicals. Angewandte Chemie (International Ed. in English). PMID 29874394 DOI: 10.1002/Anie.201806097 |
0.337 |
|
| 2018 |
Staroverov VN. Contracted Schrödinger equation and Kohn–Sham effective potentials Molecular Physics. 117: 1-5. DOI: 10.1080/00268976.2018.1463470 |
0.347 |
|
| 2018 |
Murcia Rios AM, Komsa DN, Staroverov VN. Effects of Dispersion Corrections and Nonlocality on Density Functional Predictions of Pressure-Induced Polymorphic Transitions of Crystalline Diborane The Journal of Physical Chemistry C. 122: 14781-14787. DOI: 10.1021/Acs.Jpcc.8B02431 |
0.419 |
|
| 2018 |
Staroverov VN. Uniform electron gas limit of an exact expression for the Kohn–Sham exchange-correlation potential Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2303-3 |
0.507 |
|
| 2017 |
Ryabinkin IG, Ospadov E, Staroverov VN. Exact exchange-correlation potentials of singlet two-electron systems. The Journal of Chemical Physics. 147: 164117. PMID 29096458 DOI: 10.1063/1.5003825 |
0.752 |
|
| 2017 |
Barbon SM, Staroverov VN, Gilroy JB. Structurally Diverse Boron-Nitrogen Heterocycles from an N₂O₂³¯ Formazanate Ligand. Angewandte Chemie (International Ed. in English). PMID 28561310 DOI: 10.1002/Anie.201704285 |
0.323 |
|
| 2017 |
Ospadov E, Ryabinkin IG, Staroverov VN. Improved method for generating exchange-correlation potentials from electronic wave functions. The Journal of Chemical Physics. 146: 084103. PMID 28249436 DOI: 10.1063/1.4975990 |
0.734 |
|
| 2017 |
Mo Y, Car R, Staroverov VN, Scuseria GE, Tao J. Assessment of the Tao-Mo nonempirical semilocal density functional in applications to solids and surfaces Physical Review B. 95. DOI: 10.1103/Physrevb.95.035118 |
0.628 |
|
| 2017 |
Komsa DN, Staroverov VN. Do fractionally incremented nuclear charges improve time-dependent density functional theory excitation energies as reliably as fractional orbital populations? Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2132-9 |
0.415 |
|
| 2016 |
Mo Y, Tian G, Car R, Staroverov VN, Scuseria GE, Tao J. Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes. The Journal of Chemical Physics. 145: 234306. PMID 28010100 DOI: 10.1063/1.4971853 |
0.586 |
|
| 2016 |
Komsa DN, Staroverov VN. Elimination of Spurious Fractional Charges in Dissociating Molecules by Correcting the Shape of Approximate Kohn-Sham Potentials. Journal of Chemical Theory and Computation. PMID 27749054 DOI: 10.1021/Acs.Jctc.6B00798 |
0.42 |
|
| 2016 |
Kohut SV, Cuevas-Saavedra R, Staroverov VN. Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals. The Journal of Chemical Physics. 145: 074113. PMID 27544093 DOI: 10.1063/1.4961071 |
0.376 |
|
| 2016 |
Ryabinkin IG, Kohut SV, Cuevas-Saavedra R, Ayers PW, Staroverov VN. Response to "Comment on 'Kohn-Sham exchange-correlation potentials from second-order reduced density matrices'" [J. Chem. Phys. 145, 037101 (2016)]. The Journal of Chemical Physics. 145: 037102. PMID 27448911 DOI: 10.1063/1.4958623 |
0.73 |
|
| 2016 |
Kohut SV, Polgar AM, Staroverov VN. Origin of the step structure of molecular exchange-correlation potentials. Physical Chemistry Chemical Physics : Pccp. PMID 26983370 DOI: 10.1039/C6Cp00878J |
0.455 |
|
| 2016 |
Cuevas-Saavedra R, Staroverov VN. Exact expressions for the Kohn–Sham exchange-correlation potential in terms of wave-function-based quantities Molecular Physics. 114: 1050-1058. DOI: 10.1080/00268976.2015.1131861 |
0.428 |
|
| 2015 |
Cuevas-Saavedra R, Ayers PW, Staroverov VN. Kohn-Sham exchange-correlation potentials from second-order reduced density matrices. The Journal of Chemical Physics. 143: 244116. PMID 26723660 DOI: 10.1063/1.4937943 |
0.506 |
|
| 2015 |
Ryabinkin IG, Staroverov VN. Erratum: "Average local ionization energy generalized to correlated wavefunctions" [J. Chem. Phys. 141, 084107 (2014)]. The Journal of Chemical Physics. 143: 159901. PMID 26493927 DOI: 10.1063/1.4934358 |
0.714 |
|
| 2015 |
Ryabinkin IG, Kohut SV, Staroverov VN. Reduction of Electronic Wave Functions to Kohn-Sham Effective Potentials. Physical Review Letters. 115: 083001. PMID 26340185 DOI: 10.1103/Physrevlett.115.083001 |
0.787 |
|
| 2014 |
Ryabinkin IG, Staroverov VN. Average local ionization energy generalized to correlated wavefunctions. The Journal of Chemical Physics. 141: 084107. PMID 25173005 DOI: 10.1063/1.4893424 |
0.776 |
|
| 2014 |
Kohut SV, Ryabinkin IG, Staroverov VN. Hierarchy of model Kohn-Sham potentials for orbital-dependent functionals: a practical alternative to the optimized effective potential method. The Journal of Chemical Physics. 140: 18A535. PMID 24832343 DOI: 10.1063/1.4871500 |
0.791 |
|
| 2014 |
Pavelka LC, Hanson MA, Staroverov VN, Baines KM. Mechanism of the addition of alkynes to silenes and germenes: A density functional study Canadian Journal of Chemistry. 93: 134-142. DOI: 10.1139/cjc-2014-0256 |
0.318 |
|
| 2013 |
Gaiduk AP, Ryabinkin IG, Staroverov VN. Removal of Basis-Set Artifacts in Kohn-Sham Potentials Recovered from Electron Densities. Journal of Chemical Theory and Computation. 9: 3959-64. PMID 26592391 DOI: 10.1021/Ct4004146 |
0.82 |
|
| 2013 |
Kohut SV, Staroverov VN. Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations. The Journal of Chemical Physics. 139: 164117. PMID 24182014 DOI: 10.1063/1.4826259 |
0.366 |
|
| 2013 |
Kananenka AA, Kohut SV, Gaiduk AP, Ryabinkin IG, Staroverov VN. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations. The Journal of Chemical Physics. 139: 074112. PMID 23968077 DOI: 10.1063/1.4817942 |
0.826 |
|
| 2013 |
Ryabinkin IG, Kananenka AA, Staroverov VN. Accurate and efficient approximation to the optimized effective potential for exchange. Physical Review Letters. 111: 013001. PMID 23862997 DOI: 10.1103/Physrevlett.111.013001 |
0.755 |
|
| 2013 |
Ryabinkin IG, Kananenka AA, Staroverov VN. Publisher’s Note: Accurate and Efficient Approximation to the Optimized Effective Potential for Exchange [Phys. Rev. Lett.111, 013001 (2013)] Physical Review Letters. 111. DOI: 10.1103/Physrevlett.111.059901 |
0.696 |
|
| 2013 |
Ryabinkin IG, Staroverov VN. Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons International Journal of Quantum Chemistry. 113: 1626-1632. DOI: 10.1002/Qua.24374 |
0.764 |
|
| 2012 |
Ryabinkin IG, Staroverov VN. Determination of Kohn-Sham effective potentials from electron densities using the differential virial theorem. The Journal of Chemical Physics. 137: 164113. PMID 23126701 DOI: 10.1063/1.4763481 |
0.78 |
|
| 2012 |
Gaiduk AP, Firaha DS, Staroverov VN. Improved electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials. Physical Review Letters. 108: 253005. PMID 23004596 DOI: 10.1103/Physrevlett.108.253005 |
0.838 |
|
| 2012 |
Elkind PD, Staroverov VN. Energy expressions for Kohn-Sham potentials and their relation to the Slater-Janak theorem. The Journal of Chemical Physics. 136: 124115. PMID 22462843 DOI: 10.1063/1.3695372 |
0.473 |
|
| 2012 |
Gaiduk AP, Staroverov VN. A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends. The Journal of Chemical Physics. 136: 064116. PMID 22360178 DOI: 10.1063/1.3684261 |
0.817 |
|
| 2012 |
Gaiduk AP, Mizzi D, Staroverov VN. Self-interaction correction scheme for approximate Kohn-Sham potentials Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/Physreva.86.052518 |
0.74 |
|
| 2012 |
Staroverov VN. Density-Functional Approximations for Exchange and Correlation A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences. 125-156. DOI: 10.1002/9781118431740.ch6 |
0.408 |
|
| 2011 |
Ryabinkin IG, Staroverov VN. Interelectron magnetic coupling in electrides with one-dimensional cavity-channel geometry. Physical Chemistry Chemical Physics : Pccp. 13: 21615-20. PMID 22068221 DOI: 10.1039/C1Cp22389E |
0.663 |
|
| 2011 |
Ryabinkin IG, Staroverov VN. Accurate explicitly correlated wave functions for two electrons in a square. The Journal of Chemical Physics. 135: 014106. PMID 21744887 DOI: 10.1063/1.3603451 |
0.732 |
|
| 2011 |
Gaiduk AP, Staroverov VN. Construction of integrable model Kohn-Sham potentials by analysis of the structure of functional derivatives Physical Review a - Atomic, Molecular, and Optical Physics. 83. DOI: 10.1103/Physreva.83.012509 |
0.815 |
|
| 2010 |
Staroverov VN, Glushkov VN. Effective local potentials for excited states. The Journal of Chemical Physics. 133: 244104. PMID 21197973 DOI: 10.1063/1.3521492 |
0.356 |
|
| 2010 |
Gaiduk AP, Staroverov VN. Communication: Explicit construction of functional derivatives in potential-driven density-functional theory. The Journal of Chemical Physics. 133: 101104. PMID 20849155 DOI: 10.1063/1.3483464 |
0.812 |
|
| 2010 |
Ryabinkin IG, Staroverov VN. Solution of the Schrödinger equation for two electrons in axially symmetric cavities Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.022505 |
0.698 |
|
| 2010 |
Ryabinkin IG, Staroverov VN. Two electrons in a cylindrical box: An exact configuration-interaction solution Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.032509 |
0.735 |
|
| 2009 |
Gaiduk AP, Chulkov SK, Staroverov VN. Reconstruction of Density Functionals from Kohn-Sham Potentials by Integration along Density Scaling Paths. Journal of Chemical Theory and Computation. 5: 699-707. PMID 26609574 DOI: 10.1021/Ct800514Z |
0.819 |
|
| 2009 |
Shi W, Staroverov VN, Lipson RH. Photodissociation of the geometric isomers of 1,2-dibromoethylene. The Journal of Chemical Physics. 131: 154304. PMID 20568861 DOI: 10.1063/1.3246824 |
0.338 |
|
| 2009 |
Gaiduk AP, Staroverov VN. How to tell when a model Kohn-Sham potential is not a functional derivative. The Journal of Chemical Physics. 131: 044107. PMID 19655837 DOI: 10.1063/1.3176515 |
0.81 |
|
| 2009 |
Cancès E, Stoltz G, Scuseria G, Staroverov V, Davidson E. Local Exchange Potentials for Electronic Structure Calculations Mathematics in Action. 2: 1-42. DOI: 10.5802/msia.2 |
0.494 |
|
| 2009 |
Jimenez-Hoyos CA, Janesko BG, Scuseria GE, Staroverov VN, Perdew JP. Assessment of a density functional with full exact exchange and balanced non-locality of correlation Molecular Physics. 107: 1077-1088. DOI: 10.1080/00268970902740555 |
0.626 |
|
| 2008 |
Staroverov VN. A family of model Kohn-Sham potentials for exact exchange. The Journal of Chemical Physics. 129: 134103. PMID 19045074 DOI: 10.1063/1.2982791 |
0.496 |
|
| 2008 |
Gaiduk AP, Staroverov VN. Virial exchange energies from model exact-exchange potentials. The Journal of Chemical Physics. 128: 204101. PMID 18513004 DOI: 10.1063/1.2920197 |
0.8 |
|
| 2008 |
Staroverov VN, Scuseria GE, Tao J, Perdew JP. Erratum: Tests of a ladder of density functionals for bulk solids and surfaces [Phys. Rev. B69, 075102 (2004)] Physical Review B. 78. DOI: 10.1103/Physrevb.78.239907 |
0.504 |
|
| 2008 |
Perdew JP, Staroverov VN, Tao J, Scuseria GE. Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.052513 |
0.66 |
|
| 2008 |
Tao J, Staroverov VN, Scuseria GE, Perdew JP. Exact-exchange energy density in the gauge of a semilocal density-functional approximation Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/Physreva.77.012509 |
0.632 |
|
| 2008 |
Tao J, Perdew JP, Ruzsinszky A, Scuseria GE, Csonka GI, Staroverov VN. Erratum: Meta-generalized gradient approximation: Non-empirical construction and performance of a density functional (Philosophical Magazine 87:7 (1017-1084)) Philosophical Magazine. 88: 277-278. DOI: 10.1080/14786430701874943 |
0.577 |
|
| 2007 |
Izmaylov AF, Staroverov VN, Scuseria GE, Davidson ER. Self-consistent effective local potentials. The Journal of Chemical Physics. 127: 084113. PMID 17764235 DOI: 10.1063/1.2768351 |
0.787 |
|
| 2007 |
Izmaylov AF, Staroverov VN, Scuseria GE, Davidson ER, Stoltz G, Cancès E. The effective local potential method: implementation for molecules and relation to approximate optimized effective potential techniques. The Journal of Chemical Physics. 126: 084107. PMID 17343440 DOI: 10.1063/1.2434784 |
0.783 |
|
| 2007 |
Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Staroverov VN, Tao J. Exchange and correlation in open systems of fluctuating electron number Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/Physreva.76.040501 |
0.799 |
|
| 2007 |
Tao J, Perdew JP, Ruzsinszky A, Scuseria GE, Csonka GI, Staroverov VN. Meta-generalized gradient approximation: Non-empirical construction and performance of a density functional Philosophical Magazine. 87: 1071-1084. DOI: 10.1080/14786430601021660 |
0.658 |
|
| 2006 |
Staroverov VN, Scuseria GE, Davidson ER. Effective local potentials for orbital-dependent density functionals. The Journal of Chemical Physics. 125: 081104. PMID 16964994 DOI: 10.1063/1.2345650 |
0.702 |
|
| 2006 |
Staroverov VN, Scuseria GE, Davidson ER. Optimized effective potentials yielding Hartree-Fock energies and densities. The Journal of Chemical Physics. 124: 141103. PMID 16626173 DOI: 10.1063/1.2194546 |
0.7 |
|
| 2006 |
Staroverov VN, Scuseria GE, Perdew JP, Davidson ER, Katriel J. High-density limit of the Perdew-Burke-Ernzerhof generalized gradient approximation and related density functionals Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/Physreva.74.044501 |
0.697 |
|
| 2005 |
Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits. The Journal of Chemical Physics. 123: 62201. PMID 16122287 DOI: 10.1063/1.1904565 |
0.635 |
|
| 2005 |
Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits Journal of Chemical Physics. 123. DOI: 10.1063/1.1904565 |
0.474 |
|
| 2005 |
Scuseria GE, Staroverov VN. Progress in the development of exchange-correlation functionals Theory and Applications of Computational Chemistry. 669-724. DOI: 10.1016/B978-044451719-7/50067-6 |
0.45 |
|
| 2004 |
Perdew JP, Tao J, Staroverov VN, Scuseria GE. Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional. The Journal of Chemical Physics. 120: 6898-911. PMID 15267588 DOI: 10.1063/1.1665298 |
0.657 |
|
| 2004 |
Staroverov VN, Scuseria GE, Tao J, Perdew JP. Tests of a ladder of density functionals for bulk solids and surfaces Physical Review B - Condensed Matter and Materials Physics. 69: 751021-7510211. DOI: 10.1103/Physrevb.69.075102 |
0.616 |
|
| 2004 |
Staroverov VN, Scuseria GE, Tao J, Perdew JP. Tests of a ladder of density functionals for bulk solids and surfaces Physical Review B. 69. DOI: 10.1103/physrevb.69.075102 |
0.445 |
|
| 2004 |
Staroverov VN, Scuseria GE, Perdew JP, Tao J, Davidson ER. Energies of isoelectronic atomic ions from a successful metageneralized gradient approximation and other density functional Physical Review a - Atomic, Molecular, and Optical Physics. 70: 012502-1-012502-7. DOI: 10.1103/Physreva.70.012502 |
0.666 |
|
| 2004 |
Staroverov VN, Scuseria GE, Tao J, Perdew JP. Erratum: “Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes” [J. Chem. Phys. 119, 12129 (2003)] The Journal of Chemical Physics. 121: 11507. DOI: 10.1063/1.1795692 |
0.522 |
|
| 2004 |
Perdew JP, Tao J, Staroverov VN, Scuseria GE. Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional Journal of Chemical Physics. 120: 6898-6911. DOI: 10.1063/1.1665298 |
0.539 |
|
| 2003 |
Tao J, Perdew JP, Staroverov VN, Scuseria GE. Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids. Physical Review Letters. 91: 146401. PMID 14611541 DOI: 10.1103/Physrevlett.91.146401 |
0.652 |
|
| 2003 |
Staroverov VN, Scuseria GE, Tao J, Perdew JP. Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes Journal of Chemical Physics. 119: 12129-12137. DOI: 10.1063/1.1626543 |
0.57 |
|
| 2002 |
Staroverov VN, Scuseria GE. Optimization of density matrix functionals by the Hartree-Fock-Bogoliubov method Journal of Chemical Physics. 117: 11107-11112. DOI: 10.1063/1.1523060 |
0.602 |
|
| 2002 |
Staroverov VN, Scuseria GE. Assessment of simple exchange-correlation energy functionals of the one-particle density matrix Journal of Chemical Physics. 117: 2489. DOI: 10.1063/1.1491395 |
0.601 |
|
| 2002 |
Staroverov VN, Davidson ER. Corrigendum to “The cope rearrangement in theoretical retrospect” [J. Mol. Struct. (Theochem) 573 (2001) 81–89] Journal of Molecular Structure: Theochem. 617: 225. DOI: 10.1016/S0166-1280(02)00385-8 |
0.437 |
|
| 2001 |
Staroverov VN, Davidson ER. Ab initio compton maps of small molecules Molecular Physics. 99: 175-186. DOI: 10.1080/00268970010007299 |
0.567 |
|
| 2001 |
Staroverov VN, Davidson ER. The cope rearrangement in theoretical retrospect Journal of Molecular Structure: Theochem. 573: 81-89. DOI: 10.1016/S0166-1280(01)00536-X |
0.516 |
|
| 2001 |
Staroverov VN, Davidson ER. A density functional method for degenerate spin-multiplet components Chemical Physics Letters. 340: 142-150. DOI: 10.1016/S0009-2614(01)00390-6 |
0.568 |
|
| 2000 |
Ghanty TK, Staroverov VN, Koren PR, Davidson ER. Is the hydrogen bond in water dimer and ice covalent? Journal of the American Chemical Society. 122: 1210-1214. DOI: 10.1021/Ja9937019 |
0.739 |
|
| 2000 |
Staroverov VN, Davidson ER. Diradical character of the cope rearrangement transition state Journal of the American Chemical Society. 122: 186-187. DOI: 10.1021/Ja993375X |
0.345 |
|
| 2000 |
Staroverov VN, Davidson ER. Transition regions in the Cope rearrangement of 1,5-hexadiene and its cyano derivatives Journal of the American Chemical Society. 122: 7377-7385. DOI: 10.1021/Ja001259K |
0.461 |
|
| 2000 |
Staroverov VN, Davidson ER. Distribution of effectively unpaired electrons Chemical Physics Letters. 330: 161-168. DOI: 10.1016/S0009-2614(00)01088-5 |
0.517 |
|
| 2000 |
Staroverov VN, Davidson ER. Charge Densities for Singlet and Triplet Electron Pairs International Journal of Quantum Chemistry. 77: 651-660. DOI: 10.1002/(Sici)1097-461X(2000)77:3<651::Aid-Qua6>3.0.Co;2-N |
0.555 |
|
| 2000 |
Staroverov VN, Davidson ER. Electron Distributions in Radicals International Journal of Quantum Chemistry. 77: 316-323. DOI: 10.1002/(Sici)1097-461X(2000)77:1<316::Aid-Qua30>3.0.Co;2-5 |
0.485 |
|
| 1998 |
Staroverov VN, Langfelder P, Rothstein SM. Monte Carlo study of core-valence separation schemes Journal of Chemical Physics. 108: 2873-2885. DOI: 10.1063/1.475675 |
0.416 |
|
| 1998 |
Staroverov VN, Davidson ER. The reduced model space method in multireference second-order perturbation theory Chemical Physics Letters. 296: 435-444. DOI: 10.1016/S0009-2614(98)01092-6 |
0.517 |
|
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