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 language | English |
|---|---|
| Pages (from-to) | 6213-6219 |
| Number of pages | 7 |
| Journal | Journal of Chemical Physics |
| Volume | 56 |
| Issue number | 12 |
| Publication status | Published - 1972 |
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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 journal › Article
}
TY - JOUR
T1 - Self-consistent polarization propagator approximation as a modified random phase method
AU - Lindesberg, J.
AU - Jørgensen, P.
AU - Oddershede, J.
AU - Ratner, Mark A
PY - 1972
Y1 - 1972
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0011579726&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0011579726&partnerID=8YFLogxK
M3 - Article
VL - 56
SP - 6213
EP - 6219
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 12
ER -