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Effective many-body interactions in exact valence-shell hamiltonians

✍ Scribed by Maurice G. Sheppard; Karl F. Freed

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 594 KB
Volume: 82
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85146-9

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✦ Synopsis

The theoretical many-body structure of the exact effective valence-shell hamiltonian (Xv-) is analyzed to derive experi-mentaIIy observable values of many-electron effective interactions for the [ 2s, 2p] Xv of N, 0, and F, and the [2p 3 JP of F. Unique experimentaI vaIues are presented for four-, five-, and six-electron effective integrals.

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Test of transferability in the exact eff

Test of transferability in the exact effective valence shell Hamiltonian of quasi-degenerate many-body perturbation theory: O2+ calculation from O2 effective Hamiltonian

✍ John J. Oleksik; Toshikazu Takada; Karl F. Freed 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 376 KB

Elatronic states of the 0: ion are evaluated by diagonalization of the exact effective valence shell Hamiltonian Hy which has been previously calculated for 02 \_ The present calculations are then essentially complete valence shell conr?guration interaction calculations using the Same orbitals as fo