Bornemann, F. A. and Lasser, C. and Swart, T. (2006) Energy Level Crossings in Molecular Dynamics. In: Analysis, Modeling and Simulation of Multiscale Problems. Springer, Berlin, pp. 577594.

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Official URL: http://dx.doi.org/10.1007/3540356576_21
Abstract
Energy level crossings are the landmarks that separate classical from quantum mechanical modeling of molecular systems. They induce nonadiabatic transitions between the otherwise adiabatically decoupled electronic level spaces. This review covers results on the analysis of propagation through level crossings of codimension two, a mathematical justification of surface hopping algorithms, and a spectral study of a linear isotropic system.
Item Type:  Book Section 

Subjects:  Physical Sciences > Physics > Mathematical & Theoretical Physics > Quantum Mechanics 
Divisions:  Department of Mathematics and Computer Science > Institute of Mathematics 
ID Code:  905 
Deposited By:  Burkhard Schmidt 
Deposited On:  29 Apr 2010 08:27 
Last Modified:  03 Mar 2017 14:40 
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