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Matrix elements of U(2n) generators in a multishell spin–orbit basis. I. The del-operator MEs in a two-shell composite Gelfand–Paldus basis

✍ Scribed by P. J. Burton; M. D. Gould

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
455 KB
Volume
66
Category
Article
ISSN
0020-7608

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✦ Synopsis

This is the first in a series of three articles which aimed to derive the Ž . matrix elements of the U 2 n generators in a multishell spin-orbit basis. This is a basis appropriate to many-electron systems which have a natural partitioning of the orbital space and where also spin-dependent terms are included in the Hamiltonian. The method is based on a new spin-dependent unitary group approach to the many-electron correlation w problem due to Gould and Paldus M.

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This is the second in a series of articles whose ultimate goal is the Ž . Ž . evaluation of the matrix elements MEs of the U 2 n generators in a multishell spin᎐orbit basis. This extends the existing unitary group approach to spin-dependent configuration Ž . interaction CI and many-body perturbation

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This is the third and final article in a series directed toward the Ž . Ž . evaluation of the U 2 n generator matrix elements MEs in a multishell spinrorbit basis. Such a basis is required for many-electron systems possessing a partitioned orbital space and where spin-dependence is important. The a