Berlin 2001 – wissenschaftliches Programm

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MO: Molekülphysik

MO 11: Theory: Structure and Dynamics

MO 11.10: Vortrag

Donnerstag, 5. April 2001, 18:00–18:15, H107

Structure and Dynamics of the Ne-Br₂ Cluster — •Gerardo Delgado-Barrio , Pablo Villarreal, Carlos Cunha, and Octavio Roncero — Instituto de Matematicas y Fisica Fundamental, 28006-Madrid, Spain

In this contribution we have calculated a new Potential energy Surface of the Ne-Br₂ by freezing the internal core and taking into account the correlation energy at several levels of approximation. In order to calculate the vibrational predisso ciation of the cluster formed by Neon and Br₂ in the B electronic state, two different ways were used, a time- independent model (close coupling calculations) and also a time-dependent one.