The exchange - correlation potential for current-density functional theory of frequency-dependent linear response
نویسندگان
چکیده
منابع مشابه
Current-Dependent Exchange-Correlation Potential for Dynamical Linear Response Theory.
The frequency-dependent exchange-correlation potential, which appears in the usual Kohn-Sham formulation of a time-dependent linear response problem, is a strongly nonlocal functional of the density, so that a consistent local density approximation generally does not exist. This problem can be avoided by choosing the current-density as the basic variable in a generalized Kohn-Sham theory. This ...
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We present a linear-response approach for time-dependent density-functional theories using time-adiabatic functionals. The resulting theory can be performed both in the time and in the frequency domain. The derivation considers an impulsive perturbation after which the Kohn-Sham orbitals develop in time autonomously. The equation describing the evolution is not strictly linear in the wave funct...
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We propose the vorticity expansion approximation VEA formulas of the exchange and correlation energy functionals of the current density functional theory CDFT . They have a form of the second-order expansion with respect to the vorticity. Expansion coefficients are determined by requiring them to satisfy exact relations that have been derived from scaling properties of exchange and correlation ...
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The exact expression for the exchange-correlation energy functional Exc@r ,jp# of the current-density functional theory ~CDFT! is derived by means of the coupling-constant integration technique. It contains the coupling-constant-averaged pair correlation function, which is a functional of the electron density r(r) and paramagnetic current density jp(r). On the basis of this expression, the loca...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 1997
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/9/34/004