Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters.
about
Mechanisms for ultrafast nonradiative relaxation in electronically excited eumelanin constituents.Theoretical study on collision dynamics of H(+) + CH4 at low energies.Remarks on time-dependent [current]-density functional theory for open quantum systems.Two-electron Rabi oscillations in real-time time-dependent density-functional theory.Real time propagation of the exact two component time-dependent density functional theory.Liouville-von Neumann molecular dynamics.Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations.Time-dependent non-equilibrium dielectric response in QM/continuum approaches.An efficient method for calculating dynamical hyperpolarizabilities using real-time time-dependent density functional theory.The best of both Reps-Diabatized Gaussians on adiabatic surfaces.How does the plasmonic enhancement of molecular absorption depend on the energy gap between molecular excitation and plasmon modes: a mixed TDDFT/FDTD investigation.Efficient pole-search algorithm for dynamic polarizability: Toward alternative excited-state calculation for large systems.Ab initio two-component Ehrenfest dynamics.Ab initio non-relativistic spin dynamics.Mechanisms of bridge-mediated electron transfer: a TDDFT electronic dynamics study.Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method.Time-dependent density functional theory based Ehrenfest dynamics.Efficient first-principles electronic dynamics.An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra.Time-dependent density functional theory of open quantum systems in the linear-response regime.Second-order nonadiabatic couplings from time-dependent density functional theory: evaluation in the immediate vicinity of Jahn-Teller/Renner-Teller intersections.Open-system electronic dynamics and thermalized electronic structure.From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics.
P2860
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P2860
Time-dependent density functional theory Ehrenfest dynamics: collisions between atomic oxygen and graphite clusters.
description
2007 nî lūn-bûn
@nan
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
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
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name
Time-dependent density functio ...... oxygen and graphite clusters.
@en
Time-dependent density functio ...... oxygen and graphite clusters.
@nl
type
label
Time-dependent density functio ...... oxygen and graphite clusters.
@en
Time-dependent density functio ...... oxygen and graphite clusters.
@nl
prefLabel
Time-dependent density functio ...... oxygen and graphite clusters.
@en
Time-dependent density functio ...... oxygen and graphite clusters.
@nl
P2093
P2860
P356
P1476
Time-dependent density functio ...... oxygen and graphite clusters.
@en
P2093
Christine M Isborn
John C Tully
Xiaosong Li
P2860
P304
P356
10.1063/1.2713391
P407
P577
2007-04-01T00:00:00Z