CONFIGURATION-INTERACTION CALCULATIONS OF MISCELLANEOUS PROPERTIES OFTHE CP AND CP- MOLECULES .1. CP(X(2)SIGMA(-STATE()) GROUND)

A variety of theoretical methods have been applied to the X(2) Sigma() state of CP. In order to ascertain the degree of convergence in the computed properties with respect to the basis set, a series of correla tion-consistent basis sets, ranging up to the quintuple zeta level, we re used. For some properties the convergence was sufficiently uniform that a simple analytical expression could be fitted to the available t heoretical data, seas to permit an estimate of the complete basis set limit. The set of observables that was examined includes spectroscopic constants (r(e), D-e, omega(e), omega(e)x(e), B-e, alpha(e)), rotatio nal transition energies, one-electron properties (mu(e), Q, etc), vibr ational transition energies, vibrational dipole moments and others. Th e vibrational energies were compared to experiment, as well as to nume rical results simulating experiments based on the Rydberg-Klein-Rees-V anderslice method. Transition Einstein A coefficients, transition wave numbers and integrated absorption intensities for a selected set of ro tational lines in the R branch of selected vibrational bands have been computed using a multireference, configuration-interaction potential energy surface which included a correction for higher-order excitation s. The theoretical results are analysed in the light of recent stellar and laboratory-frame observations. Finally, the vibrational lifetimes (with and without rotational dependence)have been derived for the fir st ten vibrational levels using the latter above-mentioned potential s urface. These lifetimes could be measured with existing experimental t echnologies.