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Resonating Hartree-Fock theory of a one-dimensional electronic system

✍ Scribed by Yamamoto, S; Takahashi, A; Fukutome, H


Book ID
122888386
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
247 KB
Volume
49
Category
Article
ISSN
0379-6779

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Calculation of molecular electronic spec
✍ John C. Schug; Byron H. Lengsfield; Dana A. Brewer 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 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