A qu~dmticalfy comergent procedure for the optimhtion of multiconfigumtionrd reference Ltates is presented snd analyzed. The 0ptim.d reference state is determined from the energy \ruintion principie by means of ZI sequence of unitary tmnsformations of the form c\p(i t)e\p(ir)lO>, xxherc the hermitea
β¦ LIBER β¦
A quadratically convergent SCF procedure
β Scribed by J. Douady; Y. Ellinger; R. Subra; B. Levy
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 258 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0010-4655
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