ON SOME ASPECTS OF SEMICLASSICAL PROPAGATION AND TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
نویسندگان
چکیده
منابع مشابه
Semiclassical Correlation in Time-Dependent Density Matrix Functional Theory
The impact of time-dependent density functional theory (TDDFT) [1, 2] on calculations of excitation spectra and response in atoms, molecules, and solids is evident in its increasing use. In such applications a weak perturbation is applied to the system beginning in its ground state, and usually the exchange-correlation (xc) effects are treated with a ground-state approximation. Generally the re...
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 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...
متن کاملExcitations in time-dependent density-functional theory.
An approximate solution to the time-dependent density-functional theory response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not. The approximation yields simple expressions for Gö...
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ژورنال
عنوان ژورنال: Le Journal de Physique Colloques
سال: 1987
ISSN: 0449-1947
DOI: 10.1051/jphyscol:1987248