We have developed a program for analytically calculating ## Ž . magnetizabilities for close-shell systems at the self-consistent-field SCF level using Ž . gauge-invariant atomic orbitals GIAOs . The GIAOs integral formulas are derived from our extended Obara᎐Saika recurrence formulas. The GIAO᎐SC
✦ LIBER ✦
Self-Consistent Field Atomic and Molecular Orbitals and Their Approximations as Linear Combinations of Slater-Type Orbitals
✍ Scribed by Mulliken, R. S.
- Book ID
- 118135987
- Publisher
- The American Physical Society
- Year
- 1960
- Tongue
- English
- Weight
- 665 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0034-6861
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Rudenberg's well-known letter of 1951 contains two implications which ¨Ž . still have not been employed so far in numerical computations: 1 Whenever all types of attraction and repulsion integrals are subject to the Rudenberg approximations in its simplest form partially known already from Mulliken