A parallel full-CI algorithm

DOI10.1016/S0010-4655(99)00542-1MaRDI QIDQ1578211zbMATH OpenFDO

Authors Roberto Ansaloni, Gian Luigi Bendazzoli, Stefano Evangelisti, Elda Rossi

Publication date 2000

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

zbMATH Keywords

ParallelismAb initioFull-CIInput-OutputMatrix diagonalizationParallel Computing in ChemicalPhysics.

Mathematics Subject Classification ID

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

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(6)

• Paradeisos: a perfect hashing algorithm for many-body eigenvalue problems
• Quantum mechanical calculations to chemical accuracy
• Efficient update of determinants for many-electron wave function overlaps
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• An single program multiple data strategy for calculation of anharmonic vibrations
• scientific article; zbMATH DE number 1984047 (Why is no real title available?)

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