THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by F. F. Seelig, University of Marburg, Germany

Complete program numerically solves the two-dimensional Schrödinger equation given a molecular potential expressed as a superposition of non-singular atomic potentials (and bond term, if necessary). Orthonormal one-electron wave functions, orbital energies, transition moments, and total electron density are calculated. The program is applicable to the electron- gas model of the pi-electrons of all planar molecules except the non-degenerate states of D4h symmetry. Documentation and program output are in German.

FORTRAN II (IBM 7090) Lines of Code: 1300 Recommended Citation: F. F. Seelig, QCPE 11, 72 (1966).