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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section04


323. CINPRO: Spin Projection of Unrestricted CNDO and INDO Wavefunctions

by John C. Schug, Dana A. Brewer and Byron H. Lengsfield, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061

This program is a modification of the CNDO/INDO program (QCPE 141) that will project pure spin components out of a single-determinant unrestricted CNDO or INDO wavefunction.

FORTRAN IV (IBM 360/G Level) Lines of Code: 2912 Recommended Citation: J. C. Schug et al., QCPE 11, 323 (1977).


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