DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions

DOI10.1016/j.cpc.2008.05.004zbMath1197.81015OpenAlexW1977518816WikidataQ62568854 ScholiaQ62568854MaRDI QIDQ711098

Sean C. Smith, Stephen K. Gray, Marlies Hankel, Gabriel G. Balint-Kurti

Publication date: 25 October 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2008.05.004

zbMATH Keywords

parallel computingquantum dynamicswavepacketsreactive scattering

Mathematics Subject Classification ID

Quantum computation (81P68) Parallel algorithms in computer science (68W10) Software, source code, etc. for problems pertaining to quantum theory (81-04)

Related Items (1)

DIFFREALWAVE

Uses Software

• MPI

Cites Work

• Unnamed Item
• An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics
• Dynasol: A visual quantum dynamics package
• ABC: a quantum reactive scattering program

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