General mathematical formulation of scattering processes in atom-diatomic collisions in the RmatReact methodology

Accurately modelling cold and ultracold reactive collisions occurring over deep potential wells, such as [Formula: see text], requires the development of new theoretical and computational methodologies. One potentially useful framework is the R-matrix method adopted widely for electron-molecule coll...

Celý popis

Uloženo v:
Podrobná bibliografie
Vydáno v:Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences Ročník 377; číslo 2154; s. 20180409
Hlavní autoři: McKemmish, Laura K, Tennyson, Jonathan
Médium: Journal Article
Jazyk:angličtina
Vydáno: England 23.09.2019
Témata:
ultracold collisions
R-matrix
resonances
quantum scattering
ISSN:1471-2962, 1471-2962
On-line přístup:Zjistit podrobnosti o přístupu
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
Popis
Shrnutí:Accurately modelling cold and ultracold reactive collisions occurring over deep potential wells, such as [Formula: see text], requires the development of new theoretical and computational methodologies. One potentially useful framework is the R-matrix method adopted widely for electron-molecule collisions which has more recently been applied to non-reactive heavy-particle collisions such as Ar-Ar. The existing treatment of non-reactive elastic and inelastic scattering needs to be substantially extended to enable modelling of reactive collisions: this is the subject of this paper. Herein, we develop the general mathematical formulation for non-reactive elastic and inelastic scattering, photoassociation, photodissociation, charge exchange and reactive scattering using the R-matrix method. Of particular note is that the inner region, of central importance to calculable R-matrix methodologies, must be finite in all scattering coordinates rather than a single scattering coordinate as for non-reactive scattering. This article is part of a discussion meeting issue 'Advances in hydrogen molecular ions: H , H and beyond'.
Bibliografie:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1471-2962
1471-2962
DOI:10.1098/rsta.2018.0409