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Perturbation calculation of transition moments in the ArH + system
Author(s) -
Chambaud G.,
Levy B.,
Millié Ph.
Publication year - 1980
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.560180110
Subject(s) - orthogonalization , atomic physics , dipole , potential energy , configuration interaction , physics , perturbation theory (quantum mechanics) , transition dipole moment , molecular electronic transition , momentum (technical analysis) , quasistatic process , angular momentum , chemistry , quantum mechanics , excited state , mathematics , geometry , finance , economics
The matrix elements of the transition dipolar momentum IR have been computed between the low‐lying states associated to the Lyman–α transition. The orthogonalization of the involved electronic states (obtained by the CIPSI method) has been performed and led to a better value for the asymptotic behavior of the {Ar(3 p 5 , 4 s ) + H + } configuration. Position of the satellites in the red and blue wing of the line are deduced from the potential‐energy curves in the frame of the quasistatic theory.