Abstract
In the formalism of reduced density matrices and functions, using the irreducible tensor-operator technique and the space-spin separation scheme, the matrix elements of one of the main spin-relativistic corrections of the Breit-Pauli Hamiltonian, the spin-orbit interactions, are expressed in a form suitable for numeric implementation. A comparison with other methods is made and the advantages of such an approach are discussed.
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Pavlov, R.L., Kuleff, A.I., Yotov, P.T., Maruani, J., Delchev, Y.I. (2001). Reduced Density-matrix Treatment of Spin-orbit Interaction Terms in Many-electron Systems. In: New Trends in Quantum Systems in Chemistry and Physics. Progress in Theoretical Chemistry and Physics, vol 6. Springer, Dordrecht. https://doi.org/10.1007/0-306-46951-0_5
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DOI: https://doi.org/10.1007/0-306-46951-0_5
Publisher Name: Springer, Dordrecht
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Online ISBN: 978-0-306-46951-0
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