Energy Level Crossings in Molecular Dynamics

Folkmar Bornemann (), Caroline Lasser () and Torben Swart ()
Additional contact information
Folkmar Bornemann: Technische Universität München, Zentrum Mathematik
Caroline Lasser: Freie Universität Berlin, Fachbereich Mathematik und Informatik
Torben Swart: Freie Universität Berlin, Fachbereich Mathematik und Informatik

A chapter in Analysis, Modeling and Simulation of Multiscale Problems, 2006, pp 577-594 from Springer

Abstract: Summary Energy level crossings are the landmarks that separate classical from quantum mechanical modeling of molecular systems. They induce non-adiabatic 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.

Keywords: Wigner Function; Conical Intersection; Gaussian Wave Packet; Connection Formula; Wigner Matrix (search for similar items in EconPapers)
Date: 2006
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-35657-8_21

Ordering information: This item can be ordered from
http://www.springer.com/9783540356578

DOI: 10.1007/3-540-35657-6_21

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().