Determination of frequency-dependent polarizabilities using current density-functional theory

Susan M. Colwell, Nicholas C. Handy, and Aaron M. Lee
Phys. Rev. A 53, 1316 – Published 1 March 1996
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Abstract

A time-dependent generalization of current density-functional theory in the form introduced by by Vignale, Rasolt, and Geldart [Adv. Quantum Chem. 21, 235 (1990)] is used. This theory is then applied to the case where an external harmonic electric field is present, and the changes are considered by perturbation theory. Finally, expressions for the frequency-dependent polarizabilities are derived in terms of the so-called electric and magnetic hessians. The theory is contrasted with time-dependent coupled Hartree-Fock theory; this demonstrates how the theory can be implemented. © 1996 The American Physical Society.

  • Received 19 September 1995

DOI:https://doi.org/10.1103/PhysRevA.53.1316

©1996 American Physical Society

Authors & Affiliations

Susan M. Colwell, Nicholas C. Handy, and Aaron M. Lee

  • University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom

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Issue

Vol. 53, Iss. 3 — March 1996

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