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141. CNINDO: CNDO and INDO Molecular Orbital Program
(FORTRAN IV)
by Paul A. Dobosh, Carnegie-Mellon University, Pittsburgh, Pennsylvania 15213 This program is written for the IBM System 360/67 digital computer for the calculation of CNDO and INDO molecular orbitals.The program is capable of computing CNDO wave functions for open- and closed- shell molecules containing the elements H to Cl, and INDO open-andclosed-shellcalculations for molecules containing H to F. The matrices in the program are large enough to allow molecules containing up to 35 atoms or 80 basis functions (whichever is smaller). One atomic orbital basis function is allowed for hydrogen (1s), four each to the elements Na through Cl
FORTRAN IV (IBM 360/67) Lines of Code: 1972 Recommended Citation: P. A. Dobosh, QCPE 11, 141 (1969). |