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Energy of chemical bonds and spatial energy principles of the hybridization of atom orbitals

✍ Scribed by G. A. Korablev; G. E. Zaikov

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
83 KB
Volume
101
Category
Article
ISSN
0021-8995

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πŸ“œ SIMILAR VOLUMES

Perturbative calculation of the Hartree–
Perturbative calculation of the Hartree–Fock interaction energy using orthogonalized orbitals
✍ 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