THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Henry F. Schaefer III, Department of Chemistry, Stanford University, Palo Alto, California 64305

L-S eigenfunctions are obtained by direct diagonalization of the operator L2 + (1/20) S2. A slightly modified version of Givens (QCPE 62) is used for the matrix diagonalization.

Accuracy: Eigenvectors are correct to at least 13 significant figures.

Limitations as written: (1) no more than 16 electrons outside of closed shells; (2) no more than 200 determinants arising from the specified orbital occupancy and values of M1=L and Ms=S; and (3) no more than 50 L-S eigenfunctions arising from specified orbital occupancy and values of L and S.

FORTRAN IV (H LEVEL) for IBM 360/65, 67, 75 Lines of Code: 804 Recommended Citation: H. F. Schaefer III, QCPE 11, 129 (1968).