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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). |