Self-consistent polarization propagator approximation as a modified random phase method

J. Lindesberg, P. Jørgensen, J. Oddershede, Mark A Ratner

Research output: Contribution to journalArticle

55 Citations (Scopus)

Abstract

A formal scheme is developed for finding the particle-hole propagator by means of a self-consistent decoupling procedure analogous to the Hartree-Fock decoupling for the electron propagator. The self-consistency comes from a contour integration of the Fourier transform of the propagator, utilizing a method introduced by Coulson. The method yields oscillator strengths and excitation energies, as well as the two-particle density matrix, which allows any one- or two-particle operator expectation value to be evaluated. The stability of the scheme is discussed, and comparisons with other, related, approximations are made.

Original languageEnglish
Pages (from-to)6213-6219
Number of pages7
JournalJournal of Chemical Physics
Volume56
Issue number12
Publication statusPublished - 1972

Fingerprint

Excitation energy
Fourier transforms
Polarization
decoupling
propagation
Electrons
polarization
approximation
oscillator strengths
operators
excitation
electrons
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Self-consistent polarization propagator approximation as a modified random phase method. / Lindesberg, J.; Jørgensen, P.; Oddershede, J.; Ratner, Mark A.

In: Journal of Chemical Physics, Vol. 56, No. 12, 1972, p. 6213-6219.

Research output: Contribution to journalArticle

Lindesberg, J, Jørgensen, P, Oddershede, J & Ratner, MA 1972, 'Self-consistent polarization propagator approximation as a modified random phase method', Journal of Chemical Physics, vol. 56, no. 12, pp. 6213-6219.
Lindesberg, J. ; Jørgensen, P. ; Oddershede, J. ; Ratner, Mark A. / Self-consistent polarization propagator approximation as a modified random phase method. In: Journal of Chemical Physics. 1972 ; Vol. 56, No. 12. pp. 6213-6219.
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