No convergence for references
โ Scribed by Sperti, Simonetta; Stirpe, Fiorenzo; Brigotti, Maurizio
- Book ID
- 109732488
- Publisher
- Nature Publishing Group
- Year
- 1998
- Tongue
- English
- Weight
- 115 KB
- Volume
- 393
- Category
- Article
- ISSN
- 0028-0836
- DOI
- 10.1038/30588
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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
A scheme for stabilizing the reduced linear equation method of solving the single-reference coupled system of equations is developed and implemented. When one or more secondary determinants become as important as the primary determinant in describing the chemical system, numerical instabilities freq