Excitations in time-dependent density-functional theory.
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Describing static correlation in bond dissociation by Kohn-Sham density functional theory.Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory.Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units.Time-dependent density functional theory: past, present, and future.State-selective optimization of local excited electronic states in extended systems.Subspace formulation of time-dependent density functional theory for large-scale calculations.Nonequilibrium superoperator GW equations.Efficient linear-response method circumventing the exchange-correlation kernel: theory for molecular conductance under finite bias.Must Kohn-Sham oscillator strengths be accurate at threshold?Hartree-Fock solutions as a quasidiabatic basis for nonorthogonal configuration interaction.Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table.Excitonic effects in a time-dependent density functional theory.Double excitations within time-dependent density functional theory linear response.Extension of local response dispersion method to excited-state calculation based on time-dependent density functional theory.Near-Infrared Fluorescent Probes with Large Stokes Shifts for Sensing Zn(II) Ions in Living Cells.Synthetic control of spectroscopic and photophysical properties of triarylborane derivatives having peripheral electron-donating groups.Helium Atom Excitations by the GW and Bethe-Salpeter Many-Body Formalism.Communication: Kohn-Sham theory for excited states of Coulomb systems.Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory.Long-range corrected density functional study on weakly bound systems: balanced descriptions of various types of molecular interactions.Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYP.Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactions.Time-dependent density functional theory of open quantum systems in the linear-response regime.Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping.Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. I. C60, C59N+, and C48N12: theory and experiment.Pseudospectral time-dependent density functional theory.Trajectory surface hopping within linear response time-dependent density-functional theory.Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: a new route via implicit differentiation.Time-dependent exchange-correlation current density functionals with memory.Measuring the kernel of time-dependent density functional theory with x-ray absorption spectroscopy of transition metals.Undoing static correlation: long-range charge transfer in time-dependent density-functional theory.Nonadiabatic coupling vectors within linear response time-dependent density functional theory.The Simulation of UV-Vis Spectroscopy with Computational MethodsDiscontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density-functional theoryRelativistic Time-Dependent Density Functional Theory and Excited States Calculations for the Zinc DimerElectronic Stopping Power in LiF from First PrinciplesRabi Oscillations and Few-Level Approximations in Time-Dependent Density Functional Theory
P2860
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P2860
Excitations in time-dependent density-functional theory.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh-hant
name
Excitations in time-dependent density-functional theory.
@en
Excitations in time-dependent density-functional theory.
@nl
type
label
Excitations in time-dependent density-functional theory.
@en
Excitations in time-dependent density-functional theory.
@nl
prefLabel
Excitations in time-dependent density-functional theory.
@en
Excitations in time-dependent density-functional theory.
@nl
P2093
P2860
P1476
Excitations in time-dependent density-functional theory.
@en
P2093
P2860
P304
P356
10.1103/PHYSREVLETT.90.043005
P407
P577
2003-01-31T00:00:00Z
P5875
P698
P818
cond-mat/0203027