A many-body perturbation theory based on the partitioning of the dimer Hamiltonian, formulated in an orthogonalized basis set, is used for the calculation of Ž . Ž . interaction energies at the Hartree᎐Fock HF level. Numerical results for the HF and 2 Ž . H O systems in selected geometries are prese
✦ LIBER ✦
Direct calculation of the Hartree–Fock interaction energy via exchange–perturbation expansion. The He … He interaction
✍ Scribed by Małgorzata Jeziorska; Bogumił Jeziorski; Jiří Čížek
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 923 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
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