Potential energy surfaces for alkali plus noble gas pairs: a systematic comparison

L. Aaron Blank; Gary S. Kedziora; David E. Weeks

doi:10.1117/12.845215

17 February 2010 Potential energy surfaces for alkali plus noble gas pairs: a systematic comparison

L. Aaron Blank, Gary S. Kedziora, David E. Weeks

Proceedings Volume 7581, High Energy/Average Power Lasers and Intense Beam Applications IV; 75810I (2010) https://doi.org/10.1117/12.845215
Event: SPIE LASE, 2010, San Francisco, California, United States

Abstract

Optically Pumped Alkali Lasers (OPAL) involve interactions of alkali atoms with a buffer gas typically consisting of a noble gas together with C₂H₄. Line broadening mechanisms are of particular interest because they can be used to match a broad optical pumping source with relatively narrow alkali absorption spectra. To better understand the line broadening processes at work in OPAL systems we focus on the noble gas collisional partners. A matrix of potential energy surfaces (PES) has been generated at the multi-configurational self consistent field (MCSCF) level for M + Ng, where M=Li, Na, K, Rb, Cs and Ng=He, Ne, Ar. The PES include the X²Σ ground state surface and the A²II, B²Σ excited state surfaces. In addition to the MCSCF surfaces, PES for Li+He have been calculated at the multi-reference singles and doubles configuration interaction (MRSDCI) level with spin-orbit splitting effects included. These surfaces provide a way to check the qualitative applicability of the MCSCF calculations. They also exhibit the avoided crossing between the B2Σ and A²II_1/2 surfaces that is partially responsible for collision induced relaxation from the ²P_3/2 to the ²P_1/2 atomic levels.

Citation Download Citation

L. Aaron Blank, Gary S. Kedziora, and David E. Weeks "Potential energy surfaces for alkali plus noble gas pairs: a systematic comparison", Proc. SPIE 7581, High Energy/Average Power Lasers and Intense Beam Applications IV, 75810I (17 February 2010); https://doi.org/10.1117/12.845215

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