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
β¦ LIBER β¦
Relativistic self-consistent calculations for small diatomic molecules by the finite element method
β Scribed by L. Yang; D. Heinemann; D. Kolb
- Book ID
- 107736504
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 177 KB
- Volume
- 192
- Category
- Article
- ISSN
- 0009-2614
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