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Time-dependent density functional theory
Known as:
TD-DFT
, TDDFT
Time-dependent density functional theory (TDDFT) is a quantum mechanical theory used in physics and chemistry to investigate the properties and…
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Broader (3)
Computational chemistry
Computational physics
Density functional theory
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
Development of Methods for Reducing the Cost of Density Functional Theory and Time-Dependent Density Functional theory
S. Hernandez
2015
Corpus ID: 98324859
Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) are powerful methods for solving a variety…
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2012
2012
Variational Formulation of Time-Dependent Density Functional Theory
J. Daligault
2012
Corpus ID: 117758108
We present a variational formulation of Time-Dependent Density Functional Theory similar to the constrained-search variational…
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2010
2010
Time-dependent density-functional-theory calculation of strong-field ionization rates of H 2
X. Chu
2010
Corpus ID: 35262144
We report a numerical study of strong-field ionization rates of the H2 molecule using time-dependent densityfunctional theory…
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2009
2009
Correlated electron dynamics and memory in time-dependent density functional theory
M. Thiele
2009
Corpus ID: 124305483
Correlated electron dynamics play an important role for nonlinear and linear processes in atoms and molecules such as strong…
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2005
2005
Scattering states from time-dependent density functional theory
Adam Wasserman
2005
Corpus ID: 52253149
OF THE DISSERTATION Scattering states from Time-dependent Density Functional Theory by Adam Wasserman Dissertation Director: Prof…
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2004
2004
Theoretical Analysis of the Excited State Properties of Wybutine: A Natural Probe for Transfer RNA Dynamics
A. Lahiri
,
J. Uličný
,
A. Laaksonen
2004
Corpus ID: 17582536
We have theoretically characterized the ground state and the excited state properties of wybutine, a naturally fluorescent…
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2003
2003
Photoionization of atoms using time-dependent density functional theory
V. Véniard
,
R. Taïeb
,
A. Maquet
2003
Corpus ID: 125789085
Time-dependent density functional theory appears to be a valuable tool to study multiphoton ionization of atoms or molecules…
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2001
2001
Time-dependent density functional theory for periodic systems
F. Kootstra
2001
Corpus ID: 85462326
In this thesis the time-dependent version of density functional theory is described, which has been developed for crystalline non…
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2000
2000
Photodissociation dynamics of the propargyl bromide molecular ion
D. Kim
,
J. Choe
,
M. Kim
2000
Corpus ID: 55658704
Photodissociation of the propargyl bromide molecular ion has been investigated using mass-analyzed ion kinetic energy…
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1998
1998
Application of time-dependent density functional theory to optical activity
K. Yabana
,
G. Bertsch
1998
Corpus ID: 263337342
As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical…
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