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Projected Hartree-Fock calculation in intermediate coupling for11B

✍ Scribed by Bouten, M. -C. ;Bouten, M.

Book ID
105198569
Publisher
Springer
Year
1977
Tongue
English
Weight
413 KB
Volume
280
Category
Article
ISSN
1434-601X

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πŸ“œ SIMILAR VOLUMES

Calculation of molecular electronic spec
Calculation of molecular electronic spectra by projected-unrestricted Hartree–Fock theory
✍ John C. Schug; Byron H. Lengsfield; Dana A. Brewer πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 798 KB

## Abstract This paper is concerned with a new application of projected‐unrestricted Hartree–Fock theory, namely, the calculation of electronic spectra for symmetric molecules. The excited electronic state is represented by a single determinant whose unrestricted nature allows for orbital rearrange