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A note on finite temperature Thomas-Fermi, Hartree-Fock-Slater calculations

✍ Scribed by M.W.C. Dharma-Wardana


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
155 KB
Volume
81
Category
Article
ISSN
0375-9601

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πŸ“œ SIMILAR VOLUMES


Accurate Hartree-Fock-Slater calculation
✍ D. Heinemann; B. Fricke; D. Kolb πŸ“‚ Article πŸ“… 1988 πŸ› Elsevier Science 🌐 English βš– 203 KB

We report on the self-consistent field solution of the Hartree-Fock-Slater equations using the finite-element method far the three small diatomic molecules N2, BH and CO as examples. The quality of the results is not only better by two orders of magnitude than the fully numerical finite difference m