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Magneto‐optical rotation in molecules. V. The verdet constant for the oxygen molecule
Author(s) -
I'Haya Y. J.,
Matsukawa F.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070723
Subject(s) - verdet constant , faraday effect , constant (computer programming) , chemistry , excited state , molecule , oxygen , rotation (mathematics) , magneto optical , atomic physics , physics , condensed matter physics , magnetic field , quantum mechanics , mathematics , geometry , organic chemistry , computer science , programming language
The Verdet constant of the oxygen molecule is calculated using the theory of magneto‐optical rotation. It is found that only two low‐lying excited states, 3 Σ ‐ μand 3 II g , are enough to be considered. Using the SCF wave functions, the temperature‐independent Verdet constant at 5780 Å is calculated to be 2.837 μmin. Together with the temperature‐dependent term 1.953 μmin, the total Verdet constant is predicted to be 4.89 μmin, which compares well with the observed value of 5.59 μmin.