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Hartree-fock determination of the energy bands and the optical properties of lithium bromide

✍ Scribed by A.Barry Kunz; NunzioO. Lipari


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
91 KB
Volume
8
Category
Article
ISSN
0038-1098

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Perturbative calculation of the Hartree–
✍ VladimΓ­r LukeΕ‘; Viliam Laurinc; Stanislav Biskupič πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 115 KB πŸ‘ 2 views

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