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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section03


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).


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