Implementing the SAAP Formalism. II. Simultaneous Eigenfunctions of L2 and S2 by Direct Diagonalization

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Abstract
A procedure is described for generating simultaneous atomic eigenfunctions of S2, Sz, L2, Lz as linear combinations of spin‐adapted antisymmetrized products of atomic orbitals. The resulting functions are of the Serber type, i.e., they also are eigenfunctions of all geminal pair‐spin operators. Flow diagrams for computer programs are given and running times are quoted.