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Collisional energy transfer involving molecules in 1II electronic states: fully quantum study of collisions of Li2(B1IIu) with He and Ne
Affiliation:1. Universität Potsdam, Institut für Chemie, Potsdam, Germany;2. Freie Universität Berlin, Institut für Chemie und Biochemie, Berlin, Germany;3. Laboratoire de Physique et Chimie Théoriques, UMR7019, CNRS-Université de Lorraine, Metz, France
Abstract:Infinite-order-sudden (IOS), coupled-states (CS) and close-coupled (CC) calculations for collisions of Li2 (B1IIu) with He and Ne are reported, based on a representation of the potential energy surfaces introduced by Poppe. We explore the range of validity of the CS and IOS approximations and analyse the quantum interference effects in the integral cross sections. For both homonuclear and heteronuclear molecules in 1II electronic states we discuss, within the IOS approximation, when asymmetries will exist in the cross sections for upward (JJ + ΔJ), as compared to downward (JJ - ΔJ) transitions. In addition, also within the IOS approximation we show that the JJ + ΔJ across sections will not be invariant with respect to the A-doublet level of the initial state. The CC cross sections are compared with previous and current experimental results. Good agreement is found for the magnitude of both the integral cross sections and the cross section asymmetries. The present study as well as previous experimental investigations show that the asymmetry pattern appears to be extremely sensitive to the interaction potential.
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