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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section07


203. FDBVM: Numerical Eigenvalues and Matrix Elements for the Quantum Mechanical Radial Equation

by Donald G. Truhlar, Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455

This subroutine computes the lowest eigenvalues and specified property matrices for a one-dimensional Schrödinger equation with arbitrary potential energy. The user must supply FUNCTION subprograms for potential energy and, if desired, for properties.

The program is described in Journal of Computational Physics, 10 (1), 123-132 (1972).

FORTRAN IV Lines of Code: 700 Recommended Citation: D. G. Truhlar, QCPE 11, 203 (1971).


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