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371. PCILINDO: The PCILO Method at the INDO Level
by J. Douady, C.I.S.I./Gre, C.E.A.-C.E.N. Grenoble, 85X, 38041 Grenoble Cedex, France; and V. Barone, Y. Ellinger and R. Subra, Laboratoire de Chimie Organique Physique, Dpartement de Recherche Fondamentale, C.E.A.-C.E.N. Grenoble, 85X, 38041, Grenoble Cedex, France This program represents a new development of the PCILO method in the INDO approximation. The new method allows the treatment of s-p exchange phenomena and may be regarded as an improvement over the CNDO version. In the present version, the program calculates the energy of closed-shell systems containing H, C, N, O, F atoms in their ground state. FORTRAN IV (IBM) Lines of Code: 4674 Recommended Citation: J. Douady et al., QCPE 11, 371 (1979). |