An MIMD strategy for quantum mechanical reactive scattering calculations

DOI10.1016/S0010-4655(00)00053-9zbMath1092.81503WikidataQ57402304 ScholiaQ57402304MaRDI QIDQ1578204

Donald G. Truhlar, Yuri L. Volobuev

Publication date: 2000

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

zbMATH Keywords

Linear algebraParallel computingQuantum mechanicsAlgebraic variational principleQuadraturesRearrangement scattering

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to quantum theory (81-04) Applications to the sciences (65Z05) Quantum scattering theory (81Uxx)

Related Items (1)

Time-dependent wave packet calculations on parallel computers: A new and efficient algorithm for evaluating \(\overline{H}\psi\)

Uses Software

• BLAS
• Algorithm 679
• Unnamed Item

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