Radial matrix elements and dipole moment function for the ground state of CO
Abstract
Radial matrix elements < vJ| xk| 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.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- May 1977
- DOI:
- 10.1016/0022-2852(77)90199-0
- Bibcode:
- 1977JMoSp..65..306K