## Ray!aigh-Schrijdinger Perturbation theory has been applied through fifth order in the energy, to the problem of estimating the rodts of the secular equation in large configuration interaction calculations. The NO:, 03 and Hz0 molecules are used as test uses, wit% accuracy as good as O.Gl eV, wi
Application of a least-squares method in configuration interaction calculations
✍ Scribed by I. Røeggen
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 618 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0009-2614
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