Year |
Citation |
Score |
2019 |
Garashchuk S, Rassolov V. Quantum trajectory dynamics based on local approximations to the quantum potential and force. Journal of Chemical Theory and Computation. PMID 31125223 DOI: 10.1021/Acs.Jctc.9B00027 |
0.378 |
|
2019 |
Wetthasinghe ST, Rassolov VA. Electron correlation in chemical bonds II. LiH and LiH Chemical Physics Letters. 730: 112-116. DOI: 10.1016/J.Cplett.2019.05.042 |
0.351 |
|
2018 |
Albarran G, Rassolov VA, Schuler RH. OH Radical as a Probe of the Spin Polarizability in 1- and 2-Naphthol. The Journal of Physical Chemistry. A. PMID 29627984 DOI: 10.1021/Acs.Jpca.7B11718 |
0.329 |
|
2016 |
Gu B, Rassolov V, Garashchuk S. Symmetrization of the nuclear wavefunctions defined by the quantum trajectory dynamics Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-2021-7 |
0.387 |
|
2015 |
Gu B, Hinde RJ, Rassolov VA, Garashchuk S. Estimation of the Ground State Energy of an Atomic Solid by Employing Quantum Trajectory Dynamics with Friction. Journal of Chemical Theory and Computation. 11: 2891-9. PMID 26575727 DOI: 10.1021/Ct501176M |
0.371 |
|
2015 |
Garashchuk S, Jakowski J, Rassolov VA. Approximate quantum trajectory dynamics for reactive processes in condensed phase Molecular Simulation. 41: 86-106. DOI: 10.1080/08927022.2014.907493 |
0.389 |
|
2015 |
Jeszenszki P, Rassolov V, Surján PR, Szabados Á. Local spin from strongly orthogonal geminal wavefunctions Molecular Physics. 113: 249-259. DOI: 10.1080/00268976.2014.936919 |
0.335 |
|
2014 |
Garashchuk S, Dell'Angelo D, Rassolov VA. Dynamics in the quantum/classical limit based on selective use of the quantum potential. The Journal of Chemical Physics. 141: 234107. PMID 25527919 DOI: 10.1063/1.4903764 |
0.349 |
|
2014 |
Cagg BA, Rassolov VA. SS(p)G: a strongly orthogonal geminal method with relaxed strong orthogonality. The Journal of Chemical Physics. 141: 164112. PMID 25362277 DOI: 10.1063/1.4899257 |
0.343 |
|
2013 |
Nichols B, Rassolov VA. Description of electronic excited states using electron correlation operator. The Journal of Chemical Physics. 139: 104111. PMID 24050332 DOI: 10.1063/1.4820486 |
0.372 |
|
2013 |
Adams RD, Rassolov V, Zhang Q. Unsaturated triosmium carbonyl cluster complexes with bridging aryl ligands: Structures, bonding, and transformations Organometallics. 32: 6368-6378. DOI: 10.1021/Om4007399 |
0.324 |
|
2013 |
Adams RD, Rassolov V, Zhang Q. Dynamic rotation of bridging aryl ligands in unsaturated metal carbonyl cluster complexes Organometallics. 32: 1587-1590. DOI: 10.1021/Om400059C |
0.324 |
|
2013 |
Adams RD, Kan Y, Rassolov V, Zhang Q. Tetraruthenium carbonyl complexes containing germyl and stannyl ligands from the reactions of Ru4(CO)13(μ-H)2 with HGePh3 and HSnPh3 Journal of Organometallic Chemistry. 730: 20-31. DOI: 10.1016/J.Jorganchem.2012.08.021 |
0.303 |
|
2013 |
Garashchuk S, Rassolov VA, Braams BJ. Analytical potential energy surface for O + Csystem Chemical Physics Letters. 588: 22-26. DOI: 10.1016/J.Cplett.2013.09.060 |
0.325 |
|
2012 |
Cagg BA, Rassolov VA. Density functional model of multireference systems based on geminals Chemical Physics Letters. 543: 205-207. DOI: 10.1016/J.Cplett.2012.06.047 |
0.349 |
|
2011 |
Rassolov VA. Harmonic electron correlation operator. The Journal of Chemical Physics. 135: 034111. PMID 21786991 DOI: 10.1063/1.3610392 |
0.346 |
|
2010 |
Liang L, Rassolov VA. Fermi contact spin density calculations of aromatic radicals Journal of Physical Chemistry C. 114: 20648-20658. DOI: 10.1021/Jp105511A |
0.338 |
|
2010 |
Cassam-Chenaï P, Rassolov V. The Electronic Mean-Field Configuration Interaction method: III- the p-orthogonality constraint Chemical Physics Letters. 487: 147-152. DOI: 10.1016/J.Cplett.2010.01.033 |
0.341 |
|
2009 |
Rassolov VA. Semiclassical electron correlation operator. The Journal of Chemical Physics. 131: 204102. PMID 19947670 DOI: 10.1063/1.3266578 |
0.381 |
|
2008 |
Garashchuk S, Rassolov VA. Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems. The Journal of Chemical Physics. 129: 024109. PMID 18624518 DOI: 10.1063/1.2949095 |
0.367 |
|
2008 |
Mayhall NJ, Raghavachari K, Redfern PC, Curtiss LA, Rassolov V. Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn. The Journal of Chemical Physics. 128: 144122. PMID 18412438 DOI: 10.1063/1.2896084 |
0.357 |
|
2008 |
Rassolov VA, Garashchuk S. Computational complexity in quantum chemistry Chemical Physics Letters. 464: 262-264. DOI: 10.1016/J.Cplett.2008.09.026 |
0.353 |
|
2007 |
Garashchuk S, Rassolov V. Stabilization of quantum energy flows within the approximate quantum trajectory approach. The Journal of Physical Chemistry. A. 111: 10251-5. PMID 17676720 DOI: 10.1021/Jp072509N |
0.378 |
|
2007 |
Rassolov VA, Xu F. Geminal model chemistry. IV. Variational and size consistent pure spin states. The Journal of Chemical Physics. 127: 044104. PMID 17672678 DOI: 10.1063/1.2755738 |
0.345 |
|
2007 |
Rassolov VA, Xu F. Geminal model chemistry III: Partial spin restriction. The Journal of Chemical Physics. 126: 234112. PMID 17600409 DOI: 10.1063/1.2741266 |
0.358 |
|
2007 |
Garashchuk S, Rassolov VA. Semiclassical nonadiabatic dynamics of NaFH with quantum trajectories Chemical Physics Letters. 446: 395-400. DOI: 10.1016/J.Cplett.2007.08.061 |
0.37 |
|
2006 |
Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, ... ... Rassolov VA, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/B517914A |
0.369 |
|
2006 |
Garashchuk S, Rassolov VA, Schatz GC. Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(3P,1D) + H2 system. The Journal of Chemical Physics. 124: 244307. PMID 16821977 DOI: 10.1063/1.2208615 |
0.411 |
|
2006 |
Rassolov VA, Garashchuk S, Schatz GC. Quantum trajectory dynamics in arbitrary coordinates. The Journal of Physical Chemistry. A. 110: 5530-6. PMID 16623486 DOI: 10.1021/Jp056741+ |
0.404 |
|
2005 |
Garashchuk S, Rassolov VA, Schatz GC. Semiclassical nonadiabatic dynamics using a mixed wave-function representation. The Journal of Chemical Physics. 123: 174108. PMID 16375518 DOI: 10.1063/1.2099547 |
0.372 |
|
2005 |
Rassolov VA, Garashchuk S. Semiclassical nonadiabatic dynamics with quantum trajectories Physical Review a - Atomic, Molecular, and Optical Physics. 71. DOI: 10.1103/Physreva.71.032511 |
0.4 |
|
2004 |
Garashchuk S, Rassolov VA. Modified quantum trajectory dynamics using a mixed wave function representation. The Journal of Chemical Physics. 121: 8711-5. PMID 15527334 DOI: 10.1063/1.1804177 |
0.376 |
|
2004 |
Garashchuk S, Rassolov VA. Energy conserving approximations to the quantum potential: dynamics with linearized quantum force. The Journal of Chemical Physics. 120: 1181-90. PMID 15268241 DOI: 10.1063/1.1633263 |
0.393 |
|
2004 |
Rassolov VA, Xu F, Garashchuk S. Geminal model chemistry II. Perturbative corrections. The Journal of Chemical Physics. 120: 10385-94. PMID 15268066 DOI: 10.1063/1.1738110 |
0.315 |
|
2004 |
Rassolov VA, Garashchuk S. Bohmian dynamics on subspaces using linearized quantum force. The Journal of Chemical Physics. 120: 6815-25. PMID 15267580 DOI: 10.1063/1.1669385 |
0.391 |
|
2004 |
Garashchuk S, Rassolov VA. Applicability criterion for semiclassical bohmian dynamics International Journal of Quantum Chemistry. 100: 1057-1064. DOI: 10.1002/Qua.20169 |
0.332 |
|
2003 |
Garashchuk S, Rassolov VA. Semiclassical dynamics with quantum trajectories: Formulation and comparison with the semiclassical initial value representation propagator Journal of Chemical Physics. 118: 2482-2490. DOI: 10.1063/1.1535421 |
0.374 |
|
2003 |
Garashchuk S, Rassolov VA. Quantum dynamics with Bohmian trajectories: Energy conserving approximation to the quantum potential Chemical Physics Letters. 376: 358-363. DOI: 10.1016/S0009-2614(03)01008-X |
0.373 |
|
2002 |
Rassolov VA. A geminal model chemistry Journal of Chemical Physics. 117: 5978-5987. DOI: 10.1063/1.1503773 |
0.317 |
|
2002 |
Garashchuk S, Rassolov VA. Semiclassical dynamics based on quantum trajectories Chemical Physics Letters. 364: 562-567. DOI: 10.1016/S0009-2614(02)01378-7 |
0.369 |
|
2002 |
Rassolov VA, Garashchuk SV, Ratner MA. Description of metals based on localized electrons Chemical Physics Letters. 363: 219-225. DOI: 10.1016/S0009-2614(02)01190-9 |
0.343 |
|
2001 |
Rassolov VA, Ratner MA, Pople JA. Semiempirical models for image electrostatics. I. Bare external charge Journal of Chemical Physics. 114: 2062-2066. DOI: 10.1063/1.1336540 |
0.326 |
|
2001 |
Rassolov VA, Pople JA, Redfern PC, Curtiss LA. The definition of core electrons Chemical Physics Letters. 350: 573-576. DOI: 10.1016/S0009-2614(01)01345-8 |
0.335 |
|
2001 |
Garashchuk S, Light JC, Rassolov VA. The diagonal Born-Oppenheimer correction to molecular dynamical properties Chemical Physics Letters. 333: 459-464. DOI: 10.1016/S0009-2614(00)01297-5 |
0.349 |
|
2001 |
Rassolov VA. 6-31G* basis set for third-row atoms Journal of Computational Chemistry. 22: 976-984. DOI: 10.1002/Jcc.1058 |
0.321 |
|
2000 |
Rassolov VA, Pople JA, Ratner MA. Reply to “Comment on ‘Correlation holes in a spin-polarized dense electron gas’ ” Physical Review B. 62: 2232-2235. DOI: 10.1103/Physrevb.62.2232 |
0.324 |
|
2000 |
Rassolov VA, Ratner MA, Pople JA. Electron correlation in chemical bonds The Journal of Chemical Physics. 112: 4014-4019. DOI: 10.1063/1.480950 |
0.365 |
|
2000 |
Kong J, White CA, Krylov AI, Sherrill D, Adamson RD, Furlani TR, Lee MS, Lee AM, Gwaltney SR, Adams TR, Ochsenfeld C, Gilbert ATB, Kedziora GS, Rassolov VA, Maurice DR, et al. Q-Chem 2.0: a high-performance ab initio electronic structure program package Journal of Computational Chemistry. 21: 1532-1548. DOI: 10.1002/1096-987X(200012)21:16<1532::Aid-Jcc10>3.0.Co;2-W |
0.305 |
|
1999 |
Rassolov VA. An ab initio linear electron correlation functional Journal of Chemical Physics. 110: 3672-3677. DOI: 10.1063/1.478795 |
0.38 |
|
1999 |
Kedziora GS, Pople JA, Rassolov VA, Ratner MA, Redfern PC, Curtiss LA. The relativistic Dirac–Coulomb–Fock effect on atomization energies The Journal of Chemical Physics. 110: 7123-7126. DOI: 10.1063/1.478615 |
0.323 |
|
1998 |
Curtiss LA, Raghavachari K, Redfern PC, Rassolov V, Pople JA. Gaussian-3 (G3) theory for molecules containing first and second-row atoms The Journal of Chemical Physics. 109: 7764-7776. DOI: 10.1063/1.477422 |
0.333 |
|
1998 |
Rassolov VA, Pople JA, Ratner MA, Windus TL. 6-31G* basis set for atoms K through Zn Journal of Chemical Physics. 109: 1223-1229. DOI: 10.1063/1.476673 |
0.307 |
|
1997 |
Chipman DM, Rassolov VA. New operators for calculation of indirect nuclear spin-spin coupling constants Journal of Chemical Physics. 107: 5488-5495. DOI: 10.1063/1.474253 |
0.341 |
|
1996 |
Rassolov VA, Chipman DM. New operators for electronic density calculation. II. Application to hydrogen, first-row atoms, and first-row diatomic hydrides Journal of Chemical Physics. 105: 1479-1491. DOI: 10.1063/1.472010 |
0.367 |
|
1996 |
Rassolov VA, Chipman DM. New operators for electronic density calculation. I. Derivations and formal analysis Journal of Chemical Physics. 105: 1470-1478. DOI: 10.1063/1.472009 |
0.349 |
|
1996 |
Rassolov VA, Chipman DM. Behavior of electronic wave functions near cusps Journal of Chemical Physics. 104: 9908-9912. DOI: 10.1063/1.471719 |
0.327 |
|
1995 |
Rassolov VA, Chipman DM. Spin density in first‐row diatomic hydrides from the Hiller–Sucher–Feinberg identity Journal of Chemical Physics. 103: 10058-10069. DOI: 10.1063/1.469908 |
0.379 |
|
1995 |
Rassolov VA, Chipman DM. Spin density in first-row atoms from the Hiller-Sucher-Feinberg identity Theoretica Chimica Acta. 91: 1-15. DOI: 10.1007/Bf01113858 |
0.381 |
|
1994 |
Rassolov VA, Chipman DM. Lithium atom spin density from the Hiller-Sucher-Feinberg identity Theoretica Chimica Acta. 88: 339-349. DOI: 10.1007/Bf01113552 |
0.382 |
|
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