Quantum Mechanical Study of Optical Emission Spectra of Rydberg-Excited H3 and Its Isotopomers

Susanta Mahapatra and Horst Köppel
Phys. Rev. Lett. 81, 3116 – Published 12 October 1998
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Abstract

Optical emission spectra of Rydberg-excited H3, D3, H2D, and D2H, in the range 200–400 nm, are investigated theoretically and compared with the experimental findings of Bruckmeier et al. [Phys. Rev. Lett. 72, 2550 (1994)]. The time-dependent wave packet method combined with the vibronic coupling theory for ( E×ε) Jahn-Teller systems is utilized in order to calculate the corresponding Franck-Condon emission profiles from the upper n=3 electronic state to the degenerate (2p)1E ground electronic manifold of those species. We obtain bimodal spectra with two maxima 9600cm1 apart in good agreement with the experimental result.

  • Received 8 April 1998

DOI:https://doi.org/10.1103/PhysRevLett.81.3116

©1998 American Physical Society

Authors & Affiliations

Susanta Mahapatra and Horst Köppel

  • Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 253, D-69120 Heidelberg, Germany

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Vol. 81, Iss. 15 — 12 October 1998

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