Correlated one-body potential from second-order Møller-Plesset perturbation theory: alternative to orbital-optimized MP2 method
A mean-field (or one-particle) theory to represent electron correlation at the level of the second-order Møller-Plesset perturbation (MP2) theory is presented. Orbitals and associated energy levels are given as eigenfunctions and eigenvalues of the resulting one-body (or Fock-like) MP2 Hamiltonian,...
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| Veröffentlicht in: | The Journal of chemical physics 2013-06, Vol.138 (22), p.224108-224108 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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