TY  - JOUR
VL  - 103
A1  - Burke, P.G.
A1  - Tennyson, J.
TI  - R-matrix theory of electron molecule scattering
EP  - 2548
IS  - 18
SN  - 0026-8976
KW  - R-matrix theory
KW  -  electron scattering
KW  -  diatomic molecules
KW  -  polyatomic molecules
N2  - This paper presents an overview of R-matrix theory of electron scattering by diatomic and polyatomic molecules. The paper commences with a detailed discussion of the fixed-nuclei approximation which in recent years has been used as the basis of the most accurate ab initio calculations. This discussion includes an overview of the computer codes which enable electron collisions with both diatomic and polyatomic molecules to be calculated. Nuclear motion including rotational and vibrational excitation and dissociation is then discussed. In non-resonant energy regions, or when the scattered electron energy is not close to thresholds, the adiabatic-nuclei approximation can be successfully used. However, when these conditions are not applicable, non-adiabatic R-matrix theory must be used and a detailed discussion of this theory is given. Finally, recent applications of the theory to treat electron scattering by polyatomic molecules are reviewed and a detailed comparison of R-matrix calculations and experimental measurements for water is presented.
JF  - Molecular Physics
UR  - http://taylorandfrancis.metapress.com/openurl.asp?genre=article&id=doi:10.1080/00268970500180105
ID  - discovery1328
Y1  - 2005/09/20/
SP  - 2537
AV  - public
N1  - This is an early version of the paper. The definitive version is available only to subscribers of the journal by following the link to the Taylor & Francis website. The paper should be cited as Molecular Physics, Vol. 103, No. 18, 20 September 2005, 2537?2548.
ER  -