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QCMP092. FORTICON8: Extended Hückel Calculations with
s, p and d Orbitals (PS/2-OS/2 Version)
by J. Howell, A. Rossi, D. Wallace, K. Haraki and R. Hoffmann, Department of Chemistry, Cornell University, Ithaca, New York 14853 Converted by G. Kapsomenos, Faculty of Chemistry, AristotleUniversityof Thessaloniki, Greece This is a direct conversion of QCPE 344 for use on the IBM PS/2 running under OS/2. The executable file which will be found on the distribution disk will not run on just any DOS system. As with QCPE 344 this system is capable of the following three types of calculations: 1. Extended Hückel calculations 2. Extended Hückel calculations with charge iteration (two different types) 3. Extended Hückel calculations with Madelung correction term. Lines of Code: 3950 Microsoft FORTRAN (Version 5.0 or later) |