Robust nonadiabatic molecular dynamics for metals and insulators.
about
Calculation of absorption spectra involving multiple excited states: approximate methods based on the mixed quantum classical Liouville equation.Can we derive Tully's surface-hopping algorithm from the semiclassical quantum Liouville equation? Almost, but only with decoherence.Decoherence and surface hopping: when can averaging over initial conditions help capture the effects of wave packet separation?A new approach to decoherence and momentum rescaling in the surface hopping algorithm.Electron-phonon thermalization in a scalable method for real-time quantum dynamics
P2860
Robust nonadiabatic molecular dynamics for metals and insulators.
description
2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年學術文章
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2007年學術文章
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name
Robust nonadiabatic molecular dynamics for metals and insulators.
@en
Robust nonadiabatic molecular dynamics for metals and insulators.
@nl
type
label
Robust nonadiabatic molecular dynamics for metals and insulators.
@en
Robust nonadiabatic molecular dynamics for metals and insulators.
@nl
prefLabel
Robust nonadiabatic molecular dynamics for metals and insulators.
@en
Robust nonadiabatic molecular dynamics for metals and insulators.
@nl
P2860
P356
P1476
Robust nonadiabatic molecular dynamics for metals and insulators
@en
P2093
Horsfield AP
P2860
P304
P356
10.1063/1.2801537
P407
P577
2007-12-01T00:00:00Z