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Sophya Garashchuk
Sophya Garashchuk
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Dirección de correo verificada de chem.sc.edu
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Semiclassical calculation of chemical reaction dynamics via wavepacket correlation functions
DJ Tannor, S Garashchuk
Annual Review of Physical Chemistry 51 (1), 553-600, 2000
1242000
Wave packet correlation function approach to H2 (ν)+ H→ H+ H2 (ν′): semiclassical implementation
S Garashchuk, D Tannor
Chemical physics letters 262 (3-4), 477-485, 1996
1221996
Connecting wires: Photoinduced electronic structure modulation in metal–organic frameworks
EA Dolgopolova, VA Galitskiy, CR Martin, HN Gregory, BJ Yarbrough, ...
Journal of the American Chemical Society 141 (13), 5350-5358, 2019
932019
Energy conserving approximations to the quantum potential: Dynamics with linearized quantum force
S Garashchuk, VA Rassolov
The Journal of chemical physics 120 (3), 1181-1190, 2004
932004
Semiclassical dynamics based on quantum trajectories
S Garashchuk, VA Rassolov
Chemical physics letters 364 (5-6), 562-567, 2002
852002
Geminal model chemistry II. Perturbative corrections
VA Rassolov, F Xu, S Garashchuk
The Journal of chemical physics 120 (22), 10385-10394, 2004
772004
Quasirandom distributed Gaussian bases for bound problems
S Garashchuk, JC Light
The Journal of Chemical Physics 114 (9), 3929-3939, 2001
742001
Quantum dynamics with Bohmian trajectories: energy conserving approximation to the quantum potential
S Garashchuk, VA Rassolov
Chemical physics letters 376 (3-4), 358-363, 2003
722003
Semiclassical approach to the hydrogen-exchange reaction Reactive and transition-state dynamics
S Garashchuk, F Grossmann, D Tannor
Journal of the Chemical Society, Faraday Transactions 93 (5), 781-789, 1997
671997
Semiclassical approach to the hydrogen-exchange reaction Reactive and transition-state dynamics
S Garashchuk, F Grossmann, D Tannor
Journal of the Chemical Society, Faraday Transactions 93 (5), 781-789, 1997
671997
Quantum trajectories
PK Chattaraj
CRC Press, 2016
642016
Semiclassical dynamics with quantum trajectories: Formulation and comparison with the semiclassical initial value representation propagator
S Garashchuk, VA Rassolov
The Journal of chemical physics 118 (6), 2482-2490, 2003
622003
Bohmian dynamics on subspaces using linearized quantum force
VA Rassolov, S Garashchuk
The Journal of chemical physics 120 (15), 6815-6825, 2004
562004
Semiclassical nonadiabatic dynamics with quantum trajectories
VA Rassolov, S Garashchuk
Physical Review A 71 (3), 032511, 2005
502005
The Schrödinger equation with friction from the quantum trajectory perspective
S Garashchuk, V Dixit, B Gu, J Mazzuca
The Journal of Chemical Physics 138 (5), 2013
412013
Quantum trajectory dynamics in arbitrary coordinates
VA Rassolov, S Garashchuk, GC Schatz
The Journal of Physical Chemistry A 110 (16), 5530-5536, 2006
412006
Stack the Bowls: Tailoring the Electronic Structure of Corannulene‐Integrated Crystalline Materials
AM Rice, EA Dolgopolova, BJ Yarbrough, GA Leith, CR Martin, ...
Angewandte Chemie International Edition 57 (35), 11310-11315, 2018
392018
Semiclassical nonadiabatic dynamics based on quantum trajectories for the O (P3, D1)+ H2 system
S Garashchuk, VA Rassolov, GC Schatz
The Journal of chemical physics 124 (24), 2006
392006
Modified quantum trajectory dynamics using a mixed wave function representation
S Garashchuk, VA Rassolov
The Journal of chemical physics 121 (18), 8711-8715, 2004
392004
Quantum trajectory-electronic structure approach for exploring nuclear effects in the dynamics of nanomaterials
S Garashchuk, J Jakowski, L Wang, BG Sumpter
Journal of chemical theory and computation 9 (12), 5221-5235, 2013
332013
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Artículos 1–20