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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section05


64. EXTHUC: Extended Hückel Theory Calculations

by E. B. Moore, W. C. Cook, and A. R. M. Rom, Boeing Scientific Research Laboratories, Seattle, Washington

Complete program does calculations of the extended Hückel type as described in R. Hoffmann, J. Chem. Phys., 39, 1397 (1963). Extensions of Hoffmann's original routine (QCPE 30) have been made to 140 orbitals and to third-row atoms. Requires 65 Kb core.

FORTRAN IV Lines of Code: 1100 Recommended Citation: E. B. Moore et al., QCPE 11, 64 (1965).


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