Hannover 2010 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 6: Cold Molecules I
MO 6.5: Vortrag
Dienstag, 9. März 2010, 15:15–15:30, F 142
Prospects for ultracold molecular formation. Quantum relativistic studies of Rb-Yb and (Rb-Ba)+ — •Stefan Knecht1,2, Lasse Kragh Sørensen2, Hans Jørgen Aagaard Jensen3, Timo Fleig4, Christel M. Marian2, and Trond Saue1 — 1LCQ, Université de Strasbourg — 2Institut für Theoretische Chemie, Universität Düsseldorf — 3Department of Physics and Chemistry, University of Southern Denmark — 4LCPQ, Université Paul Sabatier, Toulouse
Theoretical contributions to the field of (ultra-)cold molecules are of value in many different respects. Among the most important is the determination of accurate molecular potential energy curves of ground and relevant electronically excited states. Here, we present highly accurate electronic short-range potentials for the lowest molecular electronic states of the neutral system Rb-Yb[1] as well as of the molecular ion (Rb-Ba)+[2],[3] derived from relativistic four-component multi-reference configuration interaction and coupled-cluster calculations. In addition, we report vibrational states, Franck-Condon factors, transition dipole moments and ground-state dipole moment functions. Based on our findings we illustrate a possible experimental two-step mechanism to reach the rovibronic ground state.
[1] L. K. Sørensen, S. Knecht, T. Fleig, and C. M. Marian, J. Phys. Chem. A 113, (2009) 12607.
[2] S. Knecht, H. J . Aa. Jensen, and T. Fleig, J. Chem. Phys. 128 (2008) 014108.
[3] S. Knecht, L. K. Sørensen, H. J . Aa. Jensen, T. Fleig, and C. M. Marian, J. Phys. B., revised manuscript submitted.