Gaussian basis sets for atomic one-electron systems have been optimtzed by straight mmtmr~atron of the electronic ground-state eigenvalue of the finite basis set representation of the Dirac operator, using the "kinetic energy balance" procedure in conjunction with appropriate additional variational
On the use of contracted basis functions in relativistic Hartree-Fock calculations
β Scribed by F. Solliec; C. Mijoule; J.M. Leclercq
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 370 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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