Numerical evaluation of Kratzer oscillator matrix elements

Abstract
A subroutine that calculates Kratzer oscillator matrix elements of products of exponentials and integer powers of position is presented. The closed form expression for any such matrix element includes a terminating F_2hypergeometric function. Stable recursion relations used to evaluate a quantity related to F_2are used while calculating matrix elements.

Title of program: KROSC1
Catalogue Id: ACHO_v1_0

Nature of problem
This subroutine calculates a Kratzer oscillator matrix element of products of exponentials and integer powers of position. Matrix elements of this type are used to calculate kinetic energy matrix elements in variational calculations; they can also be used for quite general potential types such as Born-Mayer and Simons-Parr-Finlan.

Versions of this program held in the CPC repository in Mendeley Data
ACHO_v1_0; KROSC1; 10.1016/0010-4655(92)90199-9

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)