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SYMPOSIUM MINISYMPOSIA

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FIRST SOUTHERN SYMPOSIUM ON COMPUTING

December 4-5, 1998
University of Southern Mississippi
Hattiesburg, Mississippi


MINISYMPOSIUM ABSTRACT

Electron-Nucleon Dynamics Investigations on Small Molecular Systems

Frank Hagelberg

The dynamics of molecular and cluster systems has been treated in the past predominantly within the confines of the adiabatic approximation. While this approach is adequate for most situations and phenomena of interest, it fails for problems which involve strong coupling bet- ween nuclear and electronic degrees of freedom. For in- stance, molecular motion in the vicinity of a Jahn-Teller instability is usually not well accounted for by the adiabatic approximation. In the present talk, the basics of the recent 'Electron Nucleon Dynamics' (END) Theory will be briefly outlined. This theory allows for explicit time dependence of the electronic wavefunction and is thus free from the restric- tions of the adiabatic approximation. Applications of the END theory to three- and fouratomic Jahn-Teller systems will be discussed.


Getting More Information

To obtain more information about the meeting send e-mail to: fscc98@pax.st.usm.edu.


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