Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation.
about
A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction.Improving long time behavior of Poisson bracket mapping equation: a non-Hamiltonian approach.Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamics.Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics.Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation.A many-body states picture of electronic friction: The case of multiple orbitals and multiple electronic states.An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability.Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering.Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes.Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model.Improving long time behavior of Poisson bracket mapping equation: a mapping variable scaling approach.Deriving the exact nonadiabatic quantum propagator in the mapping variable representation.Semiclassical modelling of finite-pulse effects on non-adiabatic photodynamics via initial condition filtering: The predissociation of NaI as a test case.Towards an exact theory of linear absorbance and circular dichroism of pigment-protein complexes: importance of non-secular contributions.Semiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processesThe exact forces on classical nuclei in non-adiabatic charge transfer
P2860
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P2860
Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation.
description
2012 nî lūn-bûn
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2012年学术文章
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2012年学术文章
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name
Consistent schemes for non-adi ...... ed density matrix propagation.
@en
Consistent schemes for non-adi ...... ed density matrix propagation.
@nl
type
label
Consistent schemes for non-adi ...... ed density matrix propagation.
@en
Consistent schemes for non-adi ...... ed density matrix propagation.
@nl
prefLabel
Consistent schemes for non-adi ...... ed density matrix propagation.
@en
Consistent schemes for non-adi ...... ed density matrix propagation.
@nl
P2860
P356
P1476
Consistent schemes for non-adi ...... zed density matrix propagation
@en
P2093
David F Coker
P2860
P304
P356
10.1063/1.4748316
P407
P50
P577
2012-12-01T00:00:00Z