Journal ArticleDOI
Rotational excitation in molecular collisions: A strong coupling approximation
Thomas P. Tsien,Russel T. Pack +1 more
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TLDR
A generalization of Takayanagi's fully quantum mechanical strong coupling approximation for rotationally inelastic collisions, valid for small energy exchange, is discussed and tested numerically on a model problem as discussed by the authors.About:
This article is published in Chemical Physics Letters.The article was published on 1970-07-01. It has received 107 citations till now. The article focuses on the topics: Inelastic scattering & Inelastic collision.read more
Citations
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Space‐fixed vs body‐fixed axes in atom‐diatomic molecule scattering. Sudden approximations
TL;DR: The Arthurs and Dalgarno space-fixed (SF) axes formulation of the quantum theory of atom-diatom scattering is compared with the bodyfixed (BF) axis formulation of Curtiss using consistent notation to facilitate the comparison as discussed by the authors.
Journal ArticleDOI
Discrete variable representations and sudden models in quantum scattering theory
TL;DR: In this article, an exact formalism in which the scattering problem may be described by sets of coupled equations labeled either by basis functions or quadrature points is presented, and the simply evaluated unitary transformation which connects them results in an efficient procedure for performing quantum scattering calculations.
Journal ArticleDOI
Rotationally and vibrationally inelastic scattering in the rotational IOS approximation. Ultrasimple calculation of total (differential, integral, and transport) cross sections for nonspherical molecules
Gregory A. Parker,Russell T Pack +1 more
TL;DR: In this article, a simple direct derivation of the rotational infinite order sudden (IOS) approximation in molecular scattering theory is given, and connections between simple scattering amplitude formulas, choice of average partial wave parameter, and magnetic transitions are reviewed.
Journal ArticleDOI
BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC)
Marie-Lise Dubernet,Millard H. Alexander,Yaye-Awa Ba,Naduvalath Balakrishnan,Christian Balança,Cecilia Ceccarelli,José Cernicharo,Fabien Daniel,Fabrice Dayou,M. Doronin,Fabien Dumouchel,Alain Faure,N. Feautrier,D. R. Flower,Alain Grosjean,Philippe Halvick,Jacek Kłos,François Lique,George C. McBane,Sarantos Marinakis,Nicolas Moreau,Robert Moszynski,David A. Neufeld,Evelyne Roueff,Peter Schilke,A. Spielfiedel,Phillip C. Stancil,Thierry Stoecklin,Jonathan Tennyson,Benhui Yang,A-M. Vasserot,Laurent Wiesenfeld +31 more
TL;DR: The BASECOL2012 database as mentioned in this paper is a repository of collisional data and a web service within the Virtual Atomic and Molecular Data Centre (VAMDC, http://www.vamdc.eu).
Journal ArticleDOI
Rotationally inelastic molecular scattering. Computational tests of some simple solutions of the strong coupling problem
TL;DR: In this paper, partial cross sections for rotational transitions in atom-diatom collisions are computed in the infinite-order sudden (IOS) approximation and compared with accurate close-coupling (CC) calculations.
References
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Journal ArticleDOI
Molecular Collisions. VIII
TL;DR: In this paper, the set of integral equations describing the molecular scattering process developed in the previous papers of this series is reformulated as a set of differential equations, in which the coupling is associated with a Hermitian matrix.
Journal ArticleDOI
Computational Investigation of Internal Excitation in Nonreactive Molecular Collisions: Resonances in Rotational Excitation
TL;DR: In this paper, the resonance energies can be essentially predicted by a best local potential approximation, and the resonance line shapes are fitted by a simple Breit-Wigner form.
Journal ArticleDOI
Transition Probabilities in Molecular Collisions: Computational Studies of Rotational Excitation
TL;DR: In this paper, exact numerical solutions for the coupled-state formulation of a rigid-rotor-structureless-atom collision are presented, and compared with qualitative ideas and semiquantitative decoupling approximations for the system.
Journal ArticleDOI
Internal excitation in non-reactive molecular collissions: resonances in elastic scattering of atoms by diatomic molecules☆
TL;DR: Atomic collision with rigid rotor at sub-threshold energies compared to theoretical predictions of resonance energies and several variational principles for phase shift was studied in this article, where the collision was at subthreshold energy.
Journal ArticleDOI
Opacity analysis of inelastic molecular collisions. i. the quantum mechanical sudden approximation.
TL;DR: In this article, the quantum mechanical sudden approximation for the quenching of the glory extrema in rotational excitation is discussed and applied to the case of small momentum transfer.
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