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• W2965860466 endingPage "20180409" @default.
• W2965860466 startingPage "20180409" @default.
• W2965860466 abstract "Accurately modelling cold and ultracold reactive collisions occurring over deep potential wells, such as <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML overflow=scroll> <mml:msup> <mml:mrow> <mml:mi mathvariant=normal>D</mml:mi> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> <mml:mo>+</mml:mo> <mml:msub> <mml:mrow> <mml:mi mathvariant=normal>H</mml:mi> </mml:mrow> <mml:mn>2</mml:mn> </mml:msub> <mml:mo stretchy=false>→</mml:mo> <mml:msup> <mml:mrow> <mml:mi mathvariant=normal>H</mml:mi> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> <mml:mo>+</mml:mo> <mml:mrow> <mml:mi mathvariant=normal>HD</mml:mi> </mml:mrow> </mml:math> , 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 3 + , H 5 + and beyond’." @default.
• W2965860466 created "2019-08-13" @default.
• W2965860466 creator A5058373808 @default.
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• W2965860466 date "2019-08-05" @default.
• W2965860466 modified "2023-09-25" @default.
• W2965860466 title "General mathematical formulation of scattering processes in atom–diatomic collisions in the RmatReact methodology" @default.
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• W2965860466 doi "https://doi.org/10.1098/rsta.2018.0409" @default.
• W2965860466 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6710894" @default.
• W2965860466 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31378187" @default.
• W2965860466 hasPublicationYear "2019" @default.
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