Radial matrix elements and dipole moment function for the ground state of CO

Abstract

Radial matrix elements 〈 vJ| x k | v′ J′〉 for k = 0–5, v = 0–12, | v′- v| = 0–4, and J up to 150 have been calculated for CO using accurate wavefunctions obtained from the numerical solution of the Schrödinger equation with a second-order RKR potential curve. These are used in conjunction with a model dipole moment function (a Padé approximant which has the correct united and separated atom limits and R −4 long-range behavior) to analyze the experimental intensity data. For all the levels considered, we conclude that an adequate representation of the dipole moment function is provided by a five-term power series expansion. This simplifies the computation of dipole moment matrix elements, typical results of which are presented to illustrate the dependence on the rotational and vibrational quantum numbers.