Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory
نویسندگان
چکیده
منابع مشابه
Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory.
In this work we review the mapping from densities to potentials in quantum mechanics, which is the basic building block of time-dependent density-functional theory and the Kohn-Sham construction. We first present detailed conditions such that a mapping from potentials to densities is defined by solving the time-dependent Schrödinger equation. We specifically discuss intricacies connected with t...
متن کاملDensity-potential mapping in time-dependent density-functional theory
N. T. Maitra,1,* T. N. Todorov,2 C. Woodward,3 and K. Burke4 1Department of Physics and Astronomy, Hunter College and the Graduate Center of the City University of New York, 695 Park Avenue, New York, New York 10065, USA 2School of Mathematics and Physics, Queen’s University Belfast, Belfast BT7 1NN, United Kingdom 3Department of Mathematics, Hill Center, Rutgers, the State University of New Je...
متن کاملUniqueness of the density-to-potential mapping in excited-state density-functional theory
References: Fig.1: Two potentials (middle panel) giving the same excited-state density (upper panel) along with their corresponding ground-state densities (lower panel) for an excited-state of the three electron 1D infinitely deep well model system. The question of whether there exists a mapping from an excited-state density to a potential is central to performing density-functional calculation...
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
c 2006 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentio...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2015
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/27/20/203202