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• W2070158036 abstract "We discuss the evaluation of matrix elements of spin-dependent operators expressed in terms of products of up to four U(n) generators. Such operators arise in connection with spin-orbit, spin--other-orbit, and spin-spin interaction operators in the Pauli-Breit Hamiltonian discussed recently by Gould and Battle [J. Chem. Phys. 98, 8843 (1993); 99, 5983 (1993)]. Those authors point out the need for closed-form expressions suitable for numeric calculations. In this work we enumerate the many factors which arise in molecular configuration interaction and complex-atom electronic-structure calculations. We also present numerical examples to illustrate the use of the methods." @default.
• W2070158036 created "2016-06-24" @default.
• W2070158036 creator A5066136933 @default.
• W2070158036 creator A5076219142 @default.
• W2070158036 date "1994-07-01" @default.
• W2070158036 modified "2023-09-27" @default.
• W2070158036 title "Spin-dependent operators in the unitary-group approach" @default.
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• W2070158036 doi "https://doi.org/10.1103/physreva.50.186" @default.
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