Brief review related to the foundations of time-dependent density functional theory
نویسندگان
چکیده
منابع مشابه
Brief review related to the foundations of time-dependent density functional theory
The electron density n(r, t), which is the central tool of time-dependent density functional theory, is presently considered to be derivable from a one-body time-dependent potential V (r, t), via one-electron wave functions satisfying a timedependent Schrödinger equation. This is here related via a generalized equation of motion to a Dirac density matrix now involving t. Linear response theory ...
متن کاملTime-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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متن کاملComment on “Critique of the foundations of time-dependent density-functional theory”
Neepa T. Maitra,* Robert van Leeuwen, and Kieron Burke Department of Physics and Astronomy, Hunter College and City University of New York, 695 Park Avenue, New York, New York 10065, USA Department of Physics, University of Jyväskylä, Survontie 9, FI 40014 Jyväskylä, Finland Department of Chemistry, 1102 Natural Sciences 2, University of California Irvine, California 92697, USA Received 26 Sept...
متن کاملProgress in time-dependent density-functional theory.
The classic density-functional theory (DFT) formalism introduced by Hohenberg, Kohn, and Sham in the mid-1960s is based on the idea that the complicated N-electron wave function can be replaced with the mathematically simpler 1-electron charge density in electronic structure calculations of the ground stationary state. As such, ordinary DFT cannot treat time-dependent (TD) problems nor describe...
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ژورنال
عنوان ژورنال: Theoretical Chemistry Accounts
سال: 2009
ISSN: 1432-881X,1432-2234
DOI: 10.1007/s00214-009-0578-0