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Time-resolved spectroscopy in time-dependent density functional theory: an exact condition. [PDF]
Phys Rev Lett, 2015 Fuks JI, Luo K, Sandoval ED, Maitra NT.
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Time-dependent density functional theory calculations of the solvatochromism of some azo sulfonamide fluorochromes. [PDF]
J Mol Model, 2015 Krawczyk P.
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Real-Space Approach to Time Dependent Current Density Functional Theory
, 2010 Daniel S. Jensen
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TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
Annual Review of Physical Chemistry, 2003▪ Abstract Time-dependent density functional theory (TDDFT) can be viewed as an exact reformulation of time-dependent quantum mechanics, where the fundamental variable is no longer the many-body wave function but the density. This time-dependent density is determined by solving an auxiliary set of noninteracting Schrödinger equations, the Kohn-Sham ...
M A L, Marques, E K U, Gross
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Relativistic time-dependent density functional theories
Chemical Society Reviews, 2018The foundations, formalisms, technicalities, and practicalities of relativistic time-dependent density functional theories (R-TD-DFT) for spinor excited states of molecular systems containing heavy elements are critically reviewed.
Wenjian Liu, Yunlong Xiao
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Pseudospectral time-dependent density functional theory
The Journal of Chemical Physics, 2008Time-dependent density functional theory (TDDFT) is implemented within the Tamm-Dancoff approximation (TDA) using a pseudospectral approach to evaluate two-electron repulsion integrals. The pseudospectral approximation uses a split representation with both spectral basis functions and a physical space grid to achieve a reduction in the scaling behavior
Chaehyuk, Ko +4 more
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