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Modified quantum trajectory dynamics using a mixed wave function representation.
Garashchuk S, Rassolov VA. Garashchuk S, et al. J Chem Phys. 2004 Nov 8;121(18):8711-5. doi: 10.1063/1.1804177. J Chem Phys. 2004. PMID: 15527334
The approximate version of this approach is consistent with the semiclassical linearized quantum force method [S. Garashchuk and V. A. Rassolov, J. Chem. Phys. 120, 1181 (2004)]. This approach is exact for general wave functions with the density nodes in a locally q …
The approximate version of this approach is consistent with the semiclassical linearized quantum force method [S. Garashchuk a …
Quantum trajectory dynamics in arbitrary coordinates.
Rassolov VA, Garashchuk S, Schatz GC. Rassolov VA, et al. Among authors: garashchuk s. J Phys Chem A. 2006 Apr 27;110(16):5530-6. doi: 10.1021/jp056741+. J Phys Chem A. 2006. PMID: 16623486
Efficient quantum trajectory representation of wavefunctions evolving in imaginary time.
Garashchuk S, Mazzuca J, Vazhappilly T. Garashchuk S, et al. J Chem Phys. 2011 Jul 21;135(3):034104. doi: 10.1063/1.3610165. J Chem Phys. 2011. PMID: 21786984
The quantum effects arise from the momentum-dependent quantum potential--computed approximately to be practical in high-dimensional systems--influencing the trajectories in addition to the external classical potential [S. Garashchuk, J. Chem. Phys. 132, 014112 (2010 …
The quantum effects arise from the momentum-dependent quantum potential--computed approximately to be practical in high-dimensional systems- …
49 results