MAGNETIC PHOSPHORESCENCE OF MOLECULAR-OXYGEN - A STUDY OF THE B1-SIGMA(G)(-X(3)SIGMA(G)(-) TRANSITION-PROBABILITY USING MULTICONFIGURATION RESPONSE THEORY())
B. Minaev et al., MAGNETIC PHOSPHORESCENCE OF MOLECULAR-OXYGEN - A STUDY OF THE B1-SIGMA(G)(-X(3)SIGMA(G)(-) TRANSITION-PROBABILITY USING MULTICONFIGURATION RESPONSE THEORY()), Chemical physics, 208(3), 1996, pp. 299-311
Multiconfigurational response function calculations of the magnetic di
pole transition moment for the red atmospheric emission band b(1) Sigm
a(g)(+)-X(3) Sigma(g)(-) in O-2 have been performed at different inter
nuclear distances. Spin and orbital angular momentum contributions are
calculated as residues of the linear and quadratic response functions
using the full Breit-Pauli spin-orbit coupling operator. Vibronic ban
d intensities are calculated by vibrational averaging of the magnetic
dipole transition moments and compared with experimental data. The Ein
stein coefficient for the 0,0 transition probability (0.079 s(-1)) is
obtained 10% smaller than the most recent experimental result of Ritte
r and Wilkerson (0.089 s(-1)), but in fair agreement with previous exp
erimental data (0,077-0.0825 s(-1)), while an excellent agreement for
all other known vibronic transition probabilities for the red atmosphe
ric band is obtained.