Correlation energy of open-shell systems. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.22.2392/fulltext
Reference19 articles.
1. Approximate fourth-order perturbation theory of the electron correlation energy
2. Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem
3. The effect of disconnected wavefunction clusters of double excitations on the correlation energy of molecules
4. Diagrammatic perturbation theory: evaluation of fourth-order energy terms involving quadruply-excited states for closed-shell systems
5. Self-Consistent Field Theory for Open Shells of Electronic Systems
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