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Rydberg states of OH radical
Russian version
DOI: 10.21883/EOS.2022.14.53992.2462-21
Kornev A. S. 1, Chenov V. E. 1, Zon B. A. 1, Dorofeev D. L. 1, Kubelík P. 2, Ferus M. 2
1Voronezh State University, Voronezh, Russia
2J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic
Email: a-kornev@yandex.ru, wladislaw.chernov@gmail.com, zon@niif.vsu.ru, dmitrii.dorofeev@gmail.com, petr.kubelik@jh-inst.cas.cz, martin.ferus@jh-inst.cas.cz
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We study Rydberg states of radical in adiabatic (rotational Born-Oppenheimer) approximation as well as in the inverse limit. The needed value, d = 0.833, of the OH+ cation's dipole moment was calculated using the RCCSD(T)/aug-cc-pV5Z. Our calculations show that a dipole moment of this magnitude influence weakly on the energies of the Rydberg states. The exception are the states originating from s-states in the central-symmetric field, which are influenced significantly by the cation dipole moment. In the inverse Born-Oppenheimer limit, we study in detail the dependence of the Rydberg spectrum upon the total angular momentum, J, of the molecule. This dependence substantially differs from the well-known dependence, ~ J(J+1), of the rotator energy on its total momentum. Keywords: polar molecules, multipole moments, polarizability, hydroxyl.
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