ABC: a quantum reactive scattering program

DOI10.1016/S0010-4655(00)00167-3zbMath0970.81091WikidataQ60303525 ScholiaQ60303525MaRDI QIDQ5932775

David E. Manolopoulos, J. F. Castillo, Dimitris Skouteris

Publication date: 16 October 2001

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

zbMATH Keywords

atom-diatom chemical reactionsBorn-Oppenheimer potential energy surfacecoupled-channel hyperspherical coordinate methoddeuterium-substituted isotopomers

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Electromagnetic interaction; quantum electrodynamics (81V10) Computational methods for problems pertaining to quantum theory (81-08) Atomic physics (81V45) Molecular physics (81V55)

Related Items (5)

A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: a nanotube application ⋮ Extracting \(S\)-matrix poles for resonances from numerical scattering data: type-II Padé reconstruction ⋮ GriF: a Grid framework for a web service approach to reactive scattering ⋮ DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions ⋮ Numerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections

Uses Software

• ABC

Cites Work

• On the numerical evaluation of the ordinary Bessel function of the second kind

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