Dm. Rogers et Jjw. Mcdouall, CASSCF study of energies and lifetimes of temporary negative ions of CH2Br2, CHClBr2 and CCl3Br, PCCP PHYS C, 2(4), 2000, pp. 447-451
The temporary negative ions of CH2Br2, CHClBr2 and CCl2Br are investigated
using the stabilization method (based on scaling the exponents of diffuse b
asis functions) and CASSCF calculations. The CASSCF energies are analytical
ly continued into the complex plane to obtain the energies and lifetimes of
the resonance states. It is suggested that the procedure adopted in this w
ork provides a computationally simple approach to the study of quasibound t
emporary negative ions. The results obtained are compared with available ex
perimental data.