THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Emilio Gallicchio, Department of Chemistry, Columbia University, New York, New York 10027 and Franco Battaglia, Dipartimento di Chimica, Universita degli Studi della Basilicata, 85100 Potenza, Italy

The RKR method is a computational tool in the spectroscopy of diatomic molecules since it provides the Born-Oppenheimer nuclear potential energy curve for a particular electronic state given the experimental vibrational levels of the electronic state.

This program differs from older implementations in that it does not require as input the coefficients of a Taylor Series expansion in (v+1/2) of the standard spectroscopy terms G(v). This approach can achieve good accuracy over the entire range of v.

Lines of Code: 621 FORTRAN 77 (IBM RS/6000)