Theoretical study of molecular dipole moment functions. II. The d ³Δ and a′³∑⁺ states of CO

Abstract

Approximate dipole moment functions for the d 3Δ and a′ 3∑+ states of CO have been calculated using configuration interaction wavefunctions including internal and semi-internal electronic correlation effects. The best theoretical dipole moments for individual vibrational levels are in good agreement with experimental data. The theoretical dipole moment functions are of higher accuracy than those derivable from existing experimental data. © 1978 American Institute of Physics.