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.
about
Studying reactive processes with classical dynamics: rebinding dynamics in MbNO.Non-adiabatic dynamics close to conical intersections and the surface hopping perspective.Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture.Erratum: "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" [J. Chem. Phys. 120, 3586 (2004)].First-principles binary diffusion coefficients for H, H₂, and four normal alkanes + N₂.Insights into the deactivation of 5-bromouracil after ultraviolet excitation.Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine.The Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene.Surface hopping simulation of vibrational predissociation of methanol dimer.Mixed quantum-classical equilibrium: Surface hopping.An analysis of the accuracy of an initial value representation surface hopping wave function in the interaction and asymptotic regions.Non-Born-Oppenheimer trajectories with self-consistent decay of mixing.Army ants tunneling for classical simulationsNovel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems
P2860
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P2860
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.
description
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name
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@en
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@nl
type
label
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@en
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@nl
prefLabel
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@en
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@nl
P2093
P2860
P356
P1476
Army ants algorithm for rare e ...... rrors by the bootstrap method.
@en
P2093
Ahren W Jasper
Shikha Nangia
Thomas F Miller
P2860
P304
P356
10.1063/1.1641019
P407
P577
2004-02-01T00:00:00Z