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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section05


81. HMO-II: Hückel Molecular Orbital Theory

by John Morris, Tufts University, Medford, Massachusetts 02155

Complete program solves the Hückel matrices and iterates using Streitwieser's omega technique until the charge distribution is self-consistent. Dipole moment may be calculated. Full use is made of molecular symmetry. More than one atomic orbital per atom may be used.

FORTRAN (IBM 1620) Lines of Code: 341 Recommended Citation: J. Morris, QCPE 11, 81 (1966).


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