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Theoretical Study of Electronic States Spectrum and Transition Property of OH+
Xingwei WANG, Xiaoshu SONG
Chinese Journal of Computational Physics    2021, 38 (6): 729-734.   DOI: 10.19596/j.cnki.1001-246x.8297
Abstract200)   HTML18943)    PDF (1513KB)(772)      

A highly accuracy internally multi-reference configuration interaction method (icMRCI) was used to calculate potential curves of low-lying electronic states and transition dipole moment of A3П-X3Σ- system for OH+ ion. Davidson correction (MRCI+Q) of energy and scalar relativistic effect were considered in the calculation. Based on potential energy curves of low-lying electronic states spectroscopic parameters were determined by solving one-dimensional radial Schr dinger equation of nuclear motion. Einstein coefficient and F-C factor of A3П-X3Σ- transition system are calculated by using the transition dipole moment. Moreover, radiative lifetimes of A3П(ν'=0-6) vibration states were studied. It shows that the radiative lifetimes are of the order of 10-6 s.

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