THEORETICAL-STUDY OF HCL+ - POTENTIAL CURVES, RADIATIVE LIFETIMES, AND PHOTODISSOCIATION CROSS-SECTIONS

Configuration interaction wave functions and potential energy curves have been calculated for the four lowest states of 2-PI and 2-SIGMA + symmetry and the lowest state of 4-SIGMA-, 2-SIGMA-, 2-DELTA, and 4-PI symmetry for the molecular ion HCl+. Dipole moment functions of the X-2-PI and A 2-SIGMA+ states are presented as well as dipole moments for transitions from the X state to dipole-allowed excited states. The electronic wave functions were constructed to give a balanced description of Rydberg-valence interactions. The computed radiative lifetime of the X 2-PI(upsilon = 1) is found to be in good agreement with previous theoretical and experimental values. Oscillator strengths, transition probabilities, and radiative lifetimes are calculated for the A 2-SIGMA+ -X 2-CHI transition for vibrational levels upsilon' less-than-or-equal-to 6 and compared to previous theoretical and experimental results. Vibrational levels upsilon' greater-than-or-equal-to 7 of the A 2-SIGMA+ state are predissociated by the 4-PI, 4-SIGMA-, and 2-SIGMA- states. Theoretical photodissociation cross sections are calculated showing that photodissociation occurs primarily through absorption into the (3) 2-PI and (3) 2-SIGMA+ states in the wavelength region lambda < 100 nm and also the 2-SIGMA-, 2-DELTA, and (2) 2-PI states for wavelengths lambda > 100 nm.