𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the self-consistent theory of localization

✍ Scribed by T.N. Antsygina; L.A. Pastur; V.A. Slusarev

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
207 KB
Volume
51
Category
Article
ISSN
0038-1098

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Multiconfiguration self-consistent field
Multiconfiguration self-consistent field, theory of localized orbitals: Choice of localization potential
✍ H. Schlosser πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 320 KB

We investigate the properties of two different choices for localization potentials for the direct construction of localized fixed orbitals by multiconf~u~tjon self-consisteni field theory. The first potential yields maximally screened orbit&s by solution of a complicated orbital equation which depen

Size-consistent self-consistent combinat
Size-consistent self-consistent combination of selected CI and perturbation theory
✍ J. Meller; J.L. Heully; J.P. Malrieu πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 642 KB

The present work proposes a consistent combination of two recently reported computational schemes, namely a size-consistent selected CI and a non-divergent second-order perturbation evaluation. The method treats large doubles (and any set of higher excited determinants) in a variational manner and t