Semiclassical calculation of chemical reaction dynamics via wavepacket correlation functions DJ Tannor, S Garashchuk Annual Review of Physical Chemistry 51 (1), 553-600, 2000 | 124 | 2000 |
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 | 122 | 1996 |
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 | 93 | 2019 |
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 | 93 | 2004 |
Semiclassical dynamics based on quantum trajectories S Garashchuk, VA Rassolov Chemical physics letters 364 (5-6), 562-567, 2002 | 85 | 2002 |
Geminal model chemistry II. Perturbative corrections VA Rassolov, F Xu, S Garashchuk The Journal of chemical physics 120 (22), 10385-10394, 2004 | 77 | 2004 |
Quasirandom distributed Gaussian bases for bound problems S Garashchuk, JC Light The Journal of Chemical Physics 114 (9), 3929-3939, 2001 | 74 | 2001 |
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 | 72 | 2003 |
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 | 67 | 1997 |
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 | 67 | 1997 |
Quantum trajectories PK Chattaraj CRC Press, 2016 | 63 | 2016 |
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 | 62 | 2003 |
Bohmian dynamics on subspaces using linearized quantum force VA Rassolov, S Garashchuk The Journal of chemical physics 120 (15), 6815-6825, 2004 | 56 | 2004 |
Semiclassical nonadiabatic dynamics with quantum trajectories VA Rassolov, S Garashchuk Physical Review A 71 (3), 032511, 2005 | 50 | 2005 |
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 | 41 | 2013 |
Quantum trajectory dynamics in arbitrary coordinates VA Rassolov, S Garashchuk, GC Schatz The Journal of Physical Chemistry A 110 (16), 5530-5536, 2006 | 41 | 2006 |
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 | 39 | 2006 |
Modified quantum trajectory dynamics using a mixed wave function representation S Garashchuk, VA Rassolov The Journal of chemical physics 121 (18), 8711-8715, 2004 | 39 | 2004 |
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 | 38 | 2018 |
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 | 33 | 2013 |