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Explicit formulae for spin-dependent matrix elements in the unitary group approach

โœ Scribed by Zhenyi Wen; Yubin Wang; Hailun Lin


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
394 KB
Volume
230
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


The matrix elements of spin-dependent U (2n) generators are given explicitly. These matrix elements are expressed in terms of those of spin-independent U(n) and U (n + 1) generators, and can therefore be easily incorporated into existing unitary group approach based programs.


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Matrix element formulas for spin-dependent operators in a basis of spin-adapted ลฝ . antisymmetrized products of orthonormal orbitals configuration-state functions are presented. The coefficients of one-and two-electron integrals depend only on the form of the spin-dependence of the operator and on t