Ht. Thummel et al., THE THEORETICAL TRANSITION-PROBABILITIES BETWEEN THE B-(3)PI(G) AND THE A-(3)SIGMA(-(3)DELTA(U), B'-(3)SIGMA(-)(U) STATES OF N-2()(U), W), Chemical physics letters, 247(4-6), 1995, pp. 366-372
The electronic transition moment functions between the B-3 Pi(g) state
and the A (3) Sigma(u)(+), W-3 Delta(u), B'(3) Sigma(u)(-)A3 Sigma u, W3 Delta u, B'3 Sigma u- states of N-2 are studied using the interna
lly contracted multireference configuration interaction method based u
pon complete active space SCF reference wavefunctions. The dependence
of the moments on both the one and n-particle basis sets has been inve
stigated in detail. The calculated radiative lifetimes for the vibrati
onal levels of the B-3 Pi(g) state are in excellent agreement with the
most recent data published for nu' = 5 to 12, measured by laser induc
ed fluorescence, and for nu' = 0, measured by electron impact induced
fluorescence.