An efficient approximation in the multiconfigurational self-consistent field (MC SCF) method is presented for calculations on large systems. In this method, the orbitals are spanned by adequate orthonormal orbitals, such as Hartree-Fock orbitals, instead of by the entire set of basis functions, and
✦ LIBER ✦
Virtual orbitals in SCF theory. III: Perturbational treatment
✍ Scribed by C. Arnau; R. Carbó
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 393 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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