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181. PROJECT: Eigenfunctions of Spin and Orbital
Angular Momentum by the Projection Operator Technique
by Carlos F. Bunge and Annik Bunge, Escola de Engenharia, Sïo Carlos, Sïo Paulo, Brasil Program computes normalized L-S eigenfunctions expressed as linear combinations of normalized ordered Slater determinants built up from symmetry-adapted spin orbitals = projection of a single determinant (or linear combinations of projected determinants, if the L-S space is degenerate, in which case the L-S functions are Schmidt orthonormalized). FORTRAN IV (IBM 360) Lines of Code: 1402 Recommended Citation: C. F. and A. Bunge, QCPE 11, 181 (1971). |