Real time quantum propagation on a Monte Carlo trajectory guided grids of coupled coherent states: 26D simulation of pyrazine absorption spectrum.
about
Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine.Ultrafast internal conversion of aromatic molecules studied by photoelectron spectroscopy using Sub-20 fs laser pulses.Efficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics.Dissipative dynamics at conical intersections: simulations with the hierarchy equations of motion method.Multiconfigurational Ehrenfest approach to quantum coherent dynamics in large molecular systems.Electronic energy levels with the help of trajectory-guided random grid of coupled wave packets. I. Six-dimensional simulation of H2.Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine.Time-resolved photoelectron imaging of ultrafast S2-->S1 internal conversion through conical intersection in pyrazine.Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory.Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine.On the properties of a primitive semiclassical surface hopping propagator for nonadiabatic quantum dynamics.Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states.Electronically nonadiabatic wave packet propagation using frozen Gaussian scattering.The Nosé-Hoover looped chain thermostat for low temperature thawed Gaussian wave-packet dynamics.Iterative linearized approach to nonadiabatic dynamics.Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables.Matching-pursuit/split-operator-Fourier-transform simulations of excited-state nonadiabatic quantum dynamics in pyrazine.A version of diffusion Monte Carlo method based on random grids of coherent states. II. Six-dimensional simulation of electronic states of H2.Basis set sampling in the method of coupled coherent states: coherent state swarms, trains, and pancakes.Approximate quantum trajectory dynamics for reactive processes in condensed phase
P2860
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P2860
Real time quantum propagation on a Monte Carlo trajectory guided grids of coupled coherent states: 26D simulation of pyrazine absorption spectrum.
description
2004 nî lūn-bûn
@nan
2004年の論文
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2004年学术文章
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2004年学术文章
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2004年学术文章
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2004年学术文章
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name
Real time quantum propagation ...... pyrazine absorption spectrum.
@en
Real time quantum propagation ...... pyrazine absorption spectrum.
@nl
type
label
Real time quantum propagation ...... pyrazine absorption spectrum.
@en
Real time quantum propagation ...... pyrazine absorption spectrum.
@nl
prefLabel
Real time quantum propagation ...... pyrazine absorption spectrum.
@en
Real time quantum propagation ...... pyrazine absorption spectrum.
@nl
P356
P1476
Real time quantum propagation ...... pyrazine absorption spectrum.
@en
P2093
Dmitrii V Shalashilin
Mark S Child
P304
P356
10.1063/1.1776111
P407
P577
2004-08-01T00:00:00Z