Time-Resolved Exciton Wave Functions from Time-Dependent Density-Functional Theory
نویسندگان
چکیده
منابع مشابه
Time-dependent density functional theory.
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 Schrodinger equations, the Kohn-Sham equations. The nontrivial part of the many-body interacti...
متن کاملTime-Dependent Density Functional Theory
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We give an overview of the underlying concepts of time-dependent current-densityfunctional theory (TDCDFT). We show how the basic equations of TDCDFT can be elegantly derived using the time contour method of nonequilibrium Green function theory. We further demonstrate how the formalism can be used to derive explicit equations for the exchange-correlation vector potentials and integral kernels f...
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J. I. Fuks, P. Elliott, A. Rubio, 3 and N. T. Maitra Nano-Bio Spectroscopy group, Dpto. Fı́sica de Materiales, Universidad del Paı́s Vasco, Centro de Fı́sica de Materiales CSIC-UPV/EHU-MPC and DIPC, Av. Tolosa 72, E-20018 San Sebastián, Spain Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA Fritz-Haber-Institut ...
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A fundamental property of a quantum system driven by an external field is that when the field is turned off the positions of its response frequencies are independent of the time at which the field is turned off. We show that this leads to an exact condition for the exchange-correlation potential of time-dependent density functional theory. The Kohn-Sham potential typically continues to evolve a...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2021
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.0c01334