✦ LIBER ✦

Method of linear combinations of molecular orbitals

✍ Scribed by V. A. Zasukha

Book ID: 112362357
Publisher: Springer
Year: 1975
Tongue: English
Weight: 377 KB
Volume: 10
Category: Article
ISSN: 0040-5760
DOI: 10.1007/bf00524456

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📜 SIMILAR VOLUMES

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✍ J. Hendekoviá 📂 Article 📅 1974 🏛 John Wiley and Sons 🌐 English ⚖ 760 KB

## Abstract In the spirit of Löwdin's extended HF scheme, an SCF method for the description of the molecular ground state, based on complex molecular orbitals, is developed. As a special case the method of parity mixing in orbitals is formulated. A calculational procedure for solving derived secula