A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
about
Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated grapheneDecoherence-induced surface hopping.Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method.Mixed quantum-classical dynamics for charge transport in organics.A quantum time-dependent wave-packet study of intersystem crossing effects in the O(3P(0, 1, 2)) + D2(v = 0, j = 0) reaction.Communication: Global flux surface hopping in Liouville space.Scaling relationships for nonadiabatic energy relaxation times in warm dense matter: toward understanding the equation of state.Nonadiabatic excited-state molecular dynamics: treatment of electronic decoherence.Trajectory surface hopping in the time-dependent Kohn-Sham approach for electron-nuclear dynamics.A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water.Coherence penalty functional: a simple method for adding decoherence in Ehrenfest dynamics.Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence.Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics.Non-Born-Oppenheimer trajectories with self-consistent decay of mixing.Libra: An open-Source "methodology discovery" library for quantum and classical dynamics simulations.Full-dimensional potentials and state couplings and multidimensional tunneling calculations for the photodissociation of phenolNon-Born-Oppenheimer molecular dynamics of Na⋯FH photodissociationConical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectoriesElectronic decoherence time for non-Born-Oppenheimer trajectoriesFewest-switches with time uncertainty: A modified trajectory surface-hopping algorithm with better accuracy for classically forbidden electronic transitionsPhotodissociation of LiFH and NaFH van der Waals complexes: A semiclassical trajectory study
P2860
Q36545457-42063CF4-64B5-4525-9322-AEA69C51C67DQ42681395-788E411A-F0C0-4A3D-8949-2C1EDFE784FFQ44645481-A68F713F-5317-442C-9E7D-B49C390F3BEFQ45993653-5C289AB3-EC60-4AB6-BCCA-2ECC4AD1E33BQ46223719-0AB6E3CC-6D1C-4712-8704-8B4B3BE8B50AQ46871068-CCC68B22-B44A-428A-AF51-00286783B3B6Q48052954-CF0DE6B8-8517-4487-A728-6D15C0877524Q48949012-468EC073-0DFF-45DE-9898-E4AAAD0842B3Q50749790-6272A81D-9D76-43E8-804F-5CA6E0D4CAE8Q51046035-242728DA-DE28-4DAA-8745-2F05828CDC6BQ51084001-BE72A4F8-D37C-41E8-A6C1-5058C924B83DQ51135058-931A84B8-D632-4FD1-9E5F-34BF6B4D5E9BQ51873092-A13BD083-CD73-4C0B-89F0-30D0BFFE043BQ51993562-AC2FED15-7687-4D85-B46A-AACE0D4145C4Q54349293-D5266C1C-FA60-475F-B9A6-06442250FDDAQ57401928-3D20F8BB-5B1B-493A-A04A-D952CEB29C1AQ57402128-3D2E993E-53FC-4112-863C-B7044D2D7378Q57402191-0CAD950E-C40B-492B-81DD-6AA623BC6CC9Q57402193-8329DD5A-2DA4-4D68-9BED-1DA305E1AD9CQ57402256-C15A754C-2FB3-4223-96A3-E017EDB0BC86Q57402269-AB13FB7F-89C1-4C2F-B8C9-5343C451D74D
P2860
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
description
im Juni 2001 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в червні 2001
@uk
name
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@en
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@nl
type
label
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@en
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@nl
prefLabel
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@en
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@nl
P2860
P356
P1476
A natural decay of mixing algorithm for non-Born–Oppenheimer trajectories
@en
P2093
Michael D. Hack
P2860
P304
P356
10.1063/1.1368388
P407
P577
2001-06-01T00:00:00Z