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Self-consistent perturbation theory for conjugated molecules

✍ Scribed by A. T. Amos

Publisher
Springer
Year
1967
Tongue
English
Weight
589 KB
Volume
8
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

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✍ R. McWeeny πŸ“‚ Article πŸ“… 1968 πŸ› Elsevier Science 🌐 English βš– 202 KB

The relationship of different formulations of SCF perturbation theory is clarified. and the closed-she11 theory is extended to the open-sheil case.

Size-consistent self-consistent combinat
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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