Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations.
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The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures.Mechanisms for ultrafast nonradiative relaxation in electronically excited eumelanin constituents.Modeling laser induced molecule excitation using real-time time-dependent density functional theory: application to 5- and 6-benzyluracil.Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated grapheneGiant lattice expansion by quantum stress and universal atomic forces in semiconductors under instant ultrafast laser excitation.Interlayer-State-Coupling Dependent Ultrafast Charge Transfer in MoS2/WS2 Bilayers.Enhanced charge transfer by phenyl groups at a rubrene/C60 interface.Exponential integrators in time-dependent density-functional calculations.Plasmon-driven sub-picosecond breathing of metal nanoparticles.Efficient pole-search algorithm for dynamic polarizability: Toward alternative excited-state calculation for large systems.Kinetic formulation of the Kohn-Sham Equations for ab initio electronic structure calculations.Ultrafast photoelectron migration in dye-sensitized solar cells: Influence of the binding mode and many-body interactions.Carrier-Multiplication-Induced Structural Change during Ultrafast Carrier Relaxation and Nonthermal Phase Transition in Semiconductors.Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method.Efficient electron dynamics with the planewave-based real-time time-dependent density functional theory: absorption spectra, vibronic electronic spectra, and coupled electron-nucleus dynamics.All-electron time-dependent density functional theory with finite elements: time-propagation approach.Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping.Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2.Real-time real-space TD-DFT for atoms: Benchmark computations on a nonspherical logarithmic gridQuantum mechanics in an evolving Hilbert space
P2860
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P2860
Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Real-time, local basis-set imp ...... ed state dynamics simulations.
@en
Real-time, local basis-set imp ...... ed state dynamics simulations.
@nl
type
label
Real-time, local basis-set imp ...... ed state dynamics simulations.
@en
Real-time, local basis-set imp ...... ed state dynamics simulations.
@nl
prefLabel
Real-time, local basis-set imp ...... ed state dynamics simulations.
@en
Real-time, local basis-set imp ...... ed state dynamics simulations.
@nl
P2860
P356
P1476
Real-time, local basis-set imp ...... ted state dynamics simulations
@en
P2093
Efthimios Kaxiras
P2860
P304
P356
10.1063/1.2960628
P407
P50
P577
2008-08-01T00:00:00Z