Published November 2001
| Version v1
Journal article
Adiabatic decoupling and time-dependent Born-Oppenheimer theory
Creators
- 1. Technische Univ. Muenchen, Garching (Germany). Physik-Department
- 2. Technische Univ. Muenchen (Germany). Zentrum Mathematik
Description
We reconsider the time-dependent Born-Oppenheimer theory with the goal to carefully separate between the adiabatic decoupling of a given group of energy bands from their orthogonal subspace and the semiclassics within the energy bands. Band crossings are allowed and our results are local in the sense that they hold up to the first time when a band crossing is encountered. The adiabatic decoupling leads to an effective Schroedinger equation for the nuclei, including contributions from the Berry connection. (orig.)
Additional details
Publishing Information
- Journal Title
- Communications in Mathematical Physics
- Journal Volume
- 224
- Journal Issue
- 1
- Journal Page Range
- p. 113-132
- ISSN
- 0010-3616
- CODEN
- CMPHAY
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- Germany
- INIS RN
- 33000227
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ADIABATIC APPROXIMATION; BORN-OPPENHEIMER APPROXIMATION; DECOUPLING; ELECTRONIC STRUCTURE; HILBERT SPACE; MOLECULES; SCHROEDINGER EQUATION; SEMICLASSICAL APPROXIMATION; TIME DEPENDENCE; WAVE FUNCTIONS
- Descriptors DEC
- BANACH SPACE; DIFFERENTIAL EQUATIONS; EQUATIONS; FUNCTIONS; MATHEMATICAL SPACE; PARTIAL DIFFERENTIAL EQUATIONS; SPACE; WAVE EQUATIONS
Optional Information
- Notes
- With 2 figs., 24 refs.