Abstract
In this article a matrix method for the construction of spin multiplets (spinconfigurations) is suggested in order to solve the multielectron problem for atoms and mulecules by means of configuration interaction.
A simple graphical way is given to enumerate configurations and to break their set into subsets of configurations related to the given projection of the total spin of a system S z . It is found that all matrices in the theory of spin multiplets are convex and in cases of two, three, and four electrons are broken into blocks of an order no higher than 3.
The model of the solution of the multielectron Schrödinger equation, in which the total spin of core electrons is zero, is considered. In this model the construction of linear combinations of configurations is reduced to the construction of those for but valence electrons.
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References
Kaplan, I. G.: Symmetrija mnogoelectronnyh system, (in Russian) (Symmetry of manyelectron systems). Moscow: Nauka 1969
Slater, John, C.: Quantum theory of matter. New York: McGraw-Hill 1968
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Novosadov, B.K., Gribov, L.A. The matrix theory of electron spin multiplets for atoms and molecules. Theoret. Chim. Acta 67, 449–460 (1985). https://doi.org/10.1007/BF00528140
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DOI: https://doi.org/10.1007/BF00528140