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by John E. Bloor and Bruce R. Gilson, University of Virginia, Charlottesville, Virginia 22903

Complete program performs SCF-LCAO-MO calculations on molecules containing one or more occupied open shells. Also, if desired, program performs a CI-perturbation calculation to compute spin- and charge-densities at all positions for molecules with a single non-closed shell. This is an open-shell companion program to QCPE 71.

FORTRAN IV Lines of Code: 994 Recommended Citation: J. E. Bloor and B. R. Gilson, QCPE 11, 77 (1966).