The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates

DOI10.1016/J.CPC.2012.09.001MaRDI QIDQ483818zbMATH OpenOpenAlexWikidataFDO

Authors Satrajit Adhikari, A. J. C. Varandas

Publication date 17 December 2014

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL http://hdl.handle.net/10316/80811

zbMATH Keywords

hyperspherical coordinatesparallel computationreaction cross-sectiontriatomic reaction

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

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Cited in

(7)

• Hyperspherical coordinates for triatomic molecules
• Coriolis coupling effects in the dynamics of the \(\mathrm D(^2\mathrm S)\ +\mathrm{NH}(\mathrm{X}^3{\Sigma}^-) \rightarrow \mathrm{N}(^4\mathrm{S})\ + \mathrm{HD}(\mathrm{X}^1\Sigma_g^+)\) reaction and its kinetic isotope effect
• State-to-state reactive scattering using reactant-product decoupling
• scientific article; zbMATH DE number 745263 (Why is no real title available?)
• Quantum wave packet approach to the Eley-Rideal reactive scattering between a gas phase atom and an adsorbate
• WATERWAVES: wave particles dynamics on a complex triatomic potential
• DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions

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