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Method of recurrent construction of Löwdin spin-adapted wave functions. I. Addition and subtraction operators

✍ Scribed by A. I. Panin

Publisher: John Wiley and Sons
Year: 1982
Tongue: English
Weight: 764 KB
Volume: 22
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560220308

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✦ Synopsis

Abstract

Addition and subtraction operators defined on some subspaces of the full CI space are introduced. It is shown that the effect of these operators on Löwdin many‐electron wave functions consists in adding or removing an electron without destroying spin symmetry. Upward and downward recurrence relations for the Sanibel‐type coefficients are presented. A strategy for employing the Löwdin functions for the matrix element evaluation and some special decomposition of the fermion creation–annihilation operators are discussed.

📜 SIMILAR VOLUMES

Method of recurrent construction of Löuw

Method of recurrent construction of Löuwdin spin-adapted wave functions. II. Local representation of creation–annihilation operators

✍ A. I. Panin 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 513 KB

## Abstract Some compositions of the addition and subtraction operators and recurrence relations for the Sanibel‐type coefficients __c__~__u__, __v__~ (__n__, __s__, __M__) generated by these compositions are studied. A local representation of the fermion creation–annihilation operators via the add