TRANSITION-MOMENT FUNCTION, TRANSITION-PROBABILITIES, AND RADIATIVE LIFETIMES IN THE A(1)PI-X-1-SIGMA(+) SYSTEM OF THE CS MOLECULE

Very accurate potential energy curves for the X(1)Sigma(+) and A(1)Pi states of the CS molecule are reported using the CASSCF/MRSDCI approac h. A theoretical description of the transition moment function of the X(1)Sigma(+) - A(1)Pi system over a large interval of internuclear dis tances is also presented which discloses relevant features about this function as yet unsuspected experimentally. Emission probabilities dat a also provide a trustful description of the relative intensities, and the radiative lifetimes are certainly a good reference for comparison with experimentally unperturbed results. For the A 1(Pi)(upsilon' = 0 , J' = 1) state this work estimates an unperturbed radiative Lifetime of 167 ns. (C) 1998 Elsevier Science B.V. All rights reserved.