A program is described which permits exact SCF calculations of excited-stclte singlcts where the unpaired electrons xe of different symmetry.
Open shell SCF calculations for non-orthogonal basis functions
β Scribed by J.C. Cobb; A. Hinchliffe
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 270 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0022-2860
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