MAGNETIC PHOSPHORESCENCE OF MOLECULAR-OXYGEN - A STUDY OF THE B1-SIGMA(G)(-X(3)SIGMA(G)(-) TRANSITION-PROBABILITY USING MULTICONFIGURATION RESPONSE THEORY())

Citation
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
Citations number
62
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
03010104
Volume
208
Issue
3
Year of publication
1996
Pages
299 - 311
Database
ISI
SICI code
0301-0104(1996)208:3<299:MPOM-A>2.0.ZU;2-W
Abstract
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.