These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
7. Non-Born-Oppenheimer Liouville-von Neumann Dynamics. Evolution of a Subsystem Controlled by Linear and Population-Driven Decay of Mixing with Decoherent and Coherent Switching. Zhu C; Jasper AW; Truhlar DG J Chem Theory Comput; 2005 Jul; 1(4):527-40. PubMed ID: 26641672 [TBL] [Abstract][Full Text] [Related]
9. Mixed quantum/classical investigation of the photodissociation of NH3(A) and a practical method for maintaining zero-point energy in classical trajectories. Bonhommeau D; Truhlar DG J Chem Phys; 2008 Jul; 129(1):014302. PubMed ID: 18624475 [TBL] [Abstract][Full Text] [Related]
10. Path integral formulation for quantum nonadiabatic dynamics and the mixed quantum classical limit. Krishna V J Chem Phys; 2007 Apr; 126(13):134107. PubMed ID: 17430016 [TBL] [Abstract][Full Text] [Related]
11. Semiclassical description of electronically nonadiabatic dynamics via the initial value representation. Ananth N; Venkataraman C; Miller WH J Chem Phys; 2007 Aug; 127(8):084114. PubMed ID: 17764236 [TBL] [Abstract][Full Text] [Related]
12. Phase-space averaging and natural branching of nuclear paths for nonadiabatic electron wavepacket dynamics. Yonehara T; Takatsuka K J Chem Phys; 2008 Oct; 129(13):134109. PubMed ID: 19045080 [TBL] [Abstract][Full Text] [Related]
14. A coherent state approach to semiclassical nonadiabatic dynamics. Song X; Van Voorhis T J Chem Phys; 2006 Apr; 124(13):134104. PubMed ID: 16613446 [TBL] [Abstract][Full Text] [Related]
15. On the properties of a primitive semiclassical surface hopping propagator for nonadiabatic quantum dynamics. Wu Y; Herman MF J Chem Phys; 2007 Jul; 127(4):044109. PubMed ID: 17672683 [TBL] [Abstract][Full Text] [Related]
16. Generalization of classical mechanics for nuclear motions on nonadiabatically coupled potential energy surfaces in chemical reactions. Takatsuka K J Phys Chem A; 2007 Oct; 111(41):10196-204. PubMed ID: 17676718 [TBL] [Abstract][Full Text] [Related]
17. Mean-field dynamics with stochastic decoherence (MF-SD): a new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence. Bedard-Hearn MJ; Larsen RE; Schwartz BJ J Chem Phys; 2005 Dec; 123(23):234106. PubMed ID: 16392913 [TBL] [Abstract][Full Text] [Related]
18. Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(3P,1D) + H2 system. Garashchuk S; Rassolov VA; Schatz GC J Chem Phys; 2006 Jun; 124(24):244307. PubMed ID: 16821977 [TBL] [Abstract][Full Text] [Related]
19. Exploring the role of decoherence in condensed-phase nonadiabatic dynamics: a comparison of different mixed quantum/classical simulation algorithms for the excited hydrated electron. Larsen RE; Bedard-Hearn MJ; Schwartz BJ J Phys Chem B; 2006 Oct; 110(40):20055-66. PubMed ID: 17020394 [TBL] [Abstract][Full Text] [Related]
20. Independent trajectory implementation of the semiclassical Liouville method: application to multidimensional reaction dynamics. Roman E; Martens CC J Phys Chem A; 2007 Oct; 111(41):10256-62. PubMed ID: 17636974 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]