The 2pσu–1sσgelectronic spectrum of D+2
- 1 January 1993
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 89 (21) , 3851-3855
- https://doi.org/10.1039/ft9938903851
Abstract
Non-adiabatic dissociation energies are calculated for the N≤ 5 vibration–rotation levels of the ground electronic state of D+ 2, together with the seven vibration–rotation levels of the first excited electronic state, using a transformed Hamiltonian and an artificial-channels scattering method. Coupling of rotational and electronic angular momenta is included. Relativistic and radiative corrections are made to give dissociation energies, that of the 0,0 level of the ground electronic state agreeing with experiment. In particular, calculated electronic transition energies are in excellent agreement with the available experimental values. The complete calculated 2pσu–1sσg vibronic band system of D+ 2 is reported.Keywords
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