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.
6. Non-Born-Oppenheimer dynamics calculations using the coherent switching with decay of mixing method. Li B; Chu TS; Han KL J Comput Chem; 2010 Jan; 31(2):362-70. PubMed ID: 19479734 [TBL] [Abstract][Full Text] [Related]
7. Conical intersections and semiclassical trajectories: comparison to accurate quantum dynamics and analyses of the trajectories. Jasper AW; Truhlar DG J Chem Phys; 2005 Jan; 122(4):44101. PubMed ID: 15740229 [TBL] [Abstract][Full Text] [Related]
8. 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]
12. Non-Born-Oppenheimer quantum chemistry on the fly with continuous path branching due to nonadiabatic and intense optical interactions. Yonehara T; Takatsuka K J Chem Phys; 2010 Jun; 132(24):244102. PubMed ID: 20590176 [TBL] [Abstract][Full Text] [Related]
13. Mixed quantum-classical study of nonadiabatic dynamics in the O(3P(2,1,0),1D2) + H2 reaction. Li B; Han KL J Phys Chem A; 2009 Sep; 113(38):10189-95. PubMed ID: 19722530 [TBL] [Abstract][Full Text] [Related]
14. Adiabatic states derived from a spin-coupled diabatic transformation: semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+. Valero R; Truhlar DG; Jasper AW J Phys Chem A; 2008 Jun; 112(25):5756-69. PubMed ID: 18529041 [TBL] [Abstract][Full Text] [Related]
15. 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]
16. 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]
17. Non-Born-Oppenheimer path in anti-Hermitian dynamics for nonadiabatic transitions. Takatsuka K J Chem Phys; 2006 Feb; 124(6):64111. PubMed ID: 16483200 [TBL] [Abstract][Full Text] [Related]
18. Coupled-surface investigation of the photodissociation of NH3(A): effect of exciting the symmetric and antisymmetric stretching modes. Bonhommeau D; Valero R; Truhlar DG; Jasper AW J Chem Phys; 2009 Jun; 130(23):234303. PubMed ID: 19548723 [TBL] [Abstract][Full Text] [Related]
19. Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster. Kumar Paul A; Sardar S; Sarkar B; Adhikari S J Chem Phys; 2009 Sep; 131(12):124312. PubMed ID: 19791886 [TBL] [Abstract][Full Text] [Related]
20. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase. Glover WJ; Larsen RE; Schwartz BJ J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]