THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Y. Ishikawa, N. E. Ertz, R. C. Binning, Jr., and K. M. Sando, Department of Chemistry, The University of Iowa, Iowa City, Iowa 52242

ABGENON does single configuration SCF calculations on molecules which have as many as two open electronic shells. The open shells may be of the same symmetry type. The program makes use of molecular point-group symmetry to simplify the SCF problem. It is compatible with the HONDO (QCPE 338) integral package. ABGENON also proves useful in treating systems which have pathological or slow SCF convergence properties.

In order to use this system, you must have a copy of QCPE 338 (HONDO: IBM Version). You must also have the EISPACK routines TRED2 and TQL2.

FORTRAN IV (IBM 370) and BAL Lines of Code: 1395