THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by J. A. Ragle, University of Massachusetts, Amherst, Massachusetts 01002, and P. A. Clark, Vassar College, Poughkeepsie, New York 12601

Calculation is a limited-basis set LCAO-MO self- consistent field construction of orbital energies and eigenvectors. Semi-consistent matrix elements are used in the construction of the Fock matrix ( la Pople) and all electrostatic repulsion integrals are taken zero except those of the two-center Coulomb type and one- center Coulomb and exchange types. The basis AOs are Slater-Zener radial functions (with appropriate angular factors) for the atomic valence shell. The program computes orbital eigenvectors, total energy, and dipole moment, together with a Mulliken population analysis. Up to 30 hydrogens and/or 11 second-row atoms may be handled, with the total number of orbitals not to exceed 40.

FORTRAN 63 (CDC) Lines of Code: 788 Recommended Citation: J. A. Ragle and P. A. Clark, QCPE 11, 144 (1969).