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studied by photoemission spectroscopy and unrestricted Hartree-Fock calculations

✍ Scribed by Ikedo, K.; Wakisaka, Y.; Mizokawa, T.; Iwai, C.; Miyoshi, K.; Takeuchi, J.

Book ID
118032570
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
486 KB
Volume
82
Category
Article
ISSN
1098-0121

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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