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Results: 1-11 |
Results: 11
The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations
Authors: Jasper, AW Hack, MD Truhlar, DG
Citation: Aw. Jasper et al., The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations, J CHEM PHYS, 115(4), 2001, pp. 1804-1816
Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics
Authors: Hack, MD Wensmann, AM Truhlar, DG Ben-Nun, M Martinez, TJ
Citation: Md. Hack et al., Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics, J CHEM PHYS, 115(3), 2001, pp. 1172-1186
Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study
Authors: Jasper, AW Hack, MD Chakraborty, A Truhlar, DG Piecuch, P
Citation: Aw. Jasper et al., Photodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study, J CHEM PHYS, 115(17), 2001, pp. 7945-7952
Electronically nonadiabatic trajectories: Continuous surface switching II
Authors: Hack, MD Truhlar, DG
Citation: Md. Hack et Dg. Truhlar, Electronically nonadiabatic trajectories: Continuous surface switching II, J CHEM PHYS, 114(7), 2001, pp. 2894-2902
A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories
Authors: Hack, MD Truhlar, DG
Citation: Md. Hack et Dg. Truhlar, A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories, J CHEM PHYS, 114(21), 2001, pp. 9305-9314
Nonadiabatic trajectories at an exhibition
Authors: Hack, MD Truhlar, DG
Citation: Md. Hack et Dg. Truhlar, Nonadiabatic trajectories at an exhibition, J PHYS CH A, 104(34), 2000, pp. 7917-7926
Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?
Authors: Hack, MD Jasper, AW Volobuev, YL Schwenke, DW Truhlar, DG
Citation: Md. Hack et al., Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?, J PHYS CH A, 104(2), 2000, pp. 217-232
Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics
Authors: Volobuev, YL Hack, MD Topaler, MS Truhlar, DG
Citation: Yl. Volobuev et al., Continuous surface switching: An improved time-dependent self-consistent-field method for nonadiabatic dynamics, J CHEM PHYS, 112(22), 2000, pp. 9716-9726
Quantum mechanical and quasiclassical trajectory surface hopping studies of the electronically nonadiabatic predissociation of the (A)over-tilde state of NaH2
Authors: Hack, MD Jasper, AW Volobuev, YL Schwenke, DW Truhlar, DG
Citation: Md. Hack et al., Quantum mechanical and quasiclassical trajectory surface hopping studies of the electronically nonadiabatic predissociation of the (A)over-tilde state of NaH2, J PHYS CH A, 103(32), 1999, pp. 6309-6326
Are semiclassical methods accurate for electronically nonadiabatic transitions between weakly coupled potential energy surfaces?
Authors: Volobuev, YL Hack, MD Truhlar, DG
Citation: Yl. Volobuev et al., Are semiclassical methods accurate for electronically nonadiabatic transitions between weakly coupled potential energy surfaces?, J PHYS CH A, 103(31), 1999, pp. 6225-6233
Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p)+H-2 -> Na(3s)+H-2 and Na(3p)+H-2-> NaH+H
Authors: Hack, MD Truhlar, DG
Citation: Md. Hack et Dg. Truhlar, Analytic potential energy surfaces and their couplings for the electronically nonadiabatic chemical processes Na(3p)+H-2 -> Na(3s)+H-2 and Na(3p)+H-2-> NaH+H, J CHEM PHYS, 110(9), 1999, pp. 4315-4337
Risultati: 1-11 |