Conical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectories
about
Non-adiabatic dynamics close to conical intersections and the surface hopping perspective.Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X(1)Σ+) → CO2(X̃(1)Σg(+)).Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study.Non-adiabatic transition probability dependence on conical intersection topography.Inelastic scattering matrix elements for the nonadiabatic collision B(2P1/2)+H2(1Sigmag+,j)<-->B(2P3/2)+H2(1Sigmag+,j').Mixed quantum-classical equilibrium: Surface hopping.Single switch surface hopping for molecular dynamics with transitions.Mixed quantum/classical investigation of the photodissociation of NH3(Ã) and a practical method for maintaining zero-point energy in classical trajectoriesTheoretische Chemie 2005
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Q38284997-51281316-57F5-45C5-A200-A9CD16C7AEACQ46111980-69E50367-5730-4899-B444-1A7DAE6C4F88Q46836820-8AC06042-64A2-4DE1-932C-A8401D9B436AQ50544522-08DC14F1-08BE-4505-9D2A-2D6DAC295EA9Q51107275-80D4002A-E831-4307-ADFE-44B48CE88B3FQ51871728-DB856108-635E-45DC-B4D8-17DD35A98CF9Q51888461-ED9817A8-3CB2-4969-9773-0A612F509F14Q57402094-5C7D3361-5EE5-4A54-80F1-9A629D127589Q58010183-98DB0CC0-AAEB-4ABE-9DC0-4CF1BDC0C006
P2860
Conical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectories
description
article
@en
im Januar 2005 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в січні 2005
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name
Conical intersections and semi ...... d analyses of the trajectories
@en
Conical intersections and semi ...... d analyses of the trajectories
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type
label
Conical intersections and semi ...... d analyses of the trajectories
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Conical intersections and semi ...... d analyses of the trajectories
@nl
prefLabel
Conical intersections and semi ...... d analyses of the trajectories
@en
Conical intersections and semi ...... d analyses of the trajectories
@nl
P2860
P356
P1476
Conical intersections and semi ...... d analyses of the trajectories
@en
P2093
Ahren W. Jasper
P2860
P304
P356
10.1063/1.1829031
P407
P577
2005-01-22T00:00:00Z