Abstract

AbstractThis article presents methods for computing matrix elements with Cartesian Gaussian wave functions of potential energy operators that depend on functions of the form (r−r0)n exp[−a(r − r0)] as well as matrix elements of the class of polynomial many‐body potentials developed by Murrell et al. The matrix elements arise in the analyses of anharmonic vibrations in molecules. © 1995 John Wiley & Sons, Inc.

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