Many-body partition function and thermal Hartree-Fock approximations
✍ Scribed by Farid, B.; March, N.; Theophilou, A.
- Book ID
- 115472321
- Publisher
- The American Physical Society
- Year
- 2000
- Tongue
- English
- Weight
- 86 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1063-651X
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📜 SIMILAR VOLUMES
A zero-order wave function of a dimer is defined as the antisymmetrized product of monomer Hartree᎐Fock wave functions. A symmetry-adapted many-body perturbation theory is developed up to the third order to obtain interaction energies at the Hartree᎐Fock level. Correlation effects are accounted for
Explicit spin-orbital equations are presented for the second derivative of the second-order many-body perturbation theory energy based on unrestricted Hartree-Fock reference functions, and their implementation is briefly discussed. Results are reported for the electric polarizabilities, harmonic vib