相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores
Kenneth Lopata et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Short-time Fourier transform analysis of real-time time-dependent Hartree-Fock and time-dependent density functional theory calculations with Gaussian basis functions
Tomoko Akama et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: a RT-TDDFT/FDTD Approach
Hanning Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
First-Principles Simulations of Chemical Reactions in an HCl Molecule Embedded inside a C or BN Nanotube Induced by Ultrafast Laser Pulses
Yoshiyuki Miyamoto et al.
PHYSICAL REVIEW LETTERS (2010)
Modulation of alternating electric field inside photoexcited carbon nanotubes
Hong Zhang et al.
APPLIED PHYSICS LETTERS (2009)
yambo: An ab initio tool for excited state calculations
Andrea Marini et al.
COMPUTER PHYSICS COMMUNICATIONS (2009)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Attosecond physics
Ferenc Krausz et al.
REVIEWS OF MODERN PHYSICS (2009)
Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations
Sheng Meng et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Charge-transfer-to-solvent-driven dissolution dynamics of I-(H2O)2-5 upon excitation:: Excited-state ab initio molecular dynamics Simulations
Maciej Kolaski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Testing the numerical stability of time-dependent density functional simulations using the Suzuki-Trotter formula
Yoshiyuki Miyamoto et al.
PHYSICAL REVIEW B (2008)
Quasiparticle self-consistent GW theory
M. van Schilfgaarde et al.
PHYSICAL REVIEW LETTERS (2006)
High order non-unitary split-step decomposition of unitary operators
Tomaz Prosen et al.
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL (2006)
Probing proton dynamics in molecules on an attosecond time scale
S Baker et al.
SCIENCE (2006)
Real-time, real-space implementation of the linear response time-dependent density-functional theory
K Yabana et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)
Conical intersections and double excitations in time-dependent density functional theory
BG Levine et al.
MOLECULAR PHYSICS (2006)
octopus: a tool for the application of time-dependent density functional theory
Alberto Castro et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2006)
Combined experimental and DFT-TDDFT computational study of photoelectrochemical cell ruthenium sensitizers
MK Nazeeruddin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Nonadiabatic dynamics of ethylene in femtosecond laser pulses
T Kunert et al.
PHYSICAL REVIEW A (2005)
Undoing static correlation: Long-range charge transfer in time-dependent density-functional theory
NT Maitra
JOURNAL OF CHEMICAL PHYSICS (2005)
A time-dependent Hartree-Fock approach for studying the electronic optical response of molecules in intense fields
XS Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Failure of time-dependent density functional theory for long-range charge-transfer excited states: The zincbacteriochlorin-bacterlochlorin and bacteriochlorophyll-spheroidene complexes
A Dreuw et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Open-boundary Ehrenfest molecular dynamics: towards a model of current induced heating in nanowires
AP Horsfield et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2004)
Propagators for the time-dependent Kohn-Sham equations
A Castro et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations
O Gritsenko et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Ab initio molecular dynamics with equation-of-motion coupled-cluster theory: electronic absorption spectrum of ethylene
KK Baeck et al.
CHEMICAL PHYSICS LETTERS (2003)
Time-dependent density-functional approach for biological chromophores:: The case of the green fluorescent protein -: art. no. 258101
MAL Marques et al.
PHYSICAL REVIEW LETTERS (2003)
Time-resolved atomic inner-shell spectroscopy
M Drescher et al.
NATURE (2002)
Nonadiabatic molecular dynamics simulation of light-induced, electron transfer from an anchored molecular electron donor to a semiconductor acceptor
W Stier et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Density-functional approach to electron dynamics: Stable simulation under a self-consistent field (vol 59, pg 2579, 1999)
O Sugino et al.
PHYSICAL REVIEW B (2002)
Memory in time-dependent density functional theory
NT Maitra et al.
PHYSICAL REVIEW LETTERS (2002)
Electronic excitations: density-functional versus many-body Green's-function approaches
G Onida et al.
REVIEWS OF MODERN PHYSICS (2002)
Photodynamics of ethylene:: ab initio studies of conical intersections
M Ben-Nun et al.
CHEMICAL PHYSICS (2000)
Ab initio multiple spawning:: Photochemistry from first principles quantum molecular dynamics
M Ben-Nun et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Charge transfer to solvent (CTTS) energies of small X-(H2O)(n=1-4) (X=F, Cl, Br, I) clusters: Ab initio study
D Majumdar et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
