Four-index integral transformation exploiting symmetry

DOI10.1016/J.CPC.2004.01.008MaRDI QIDQ709698zbMATH OpenOpenAlexFDO

Authors Shigeyoshi Yamamoto, Umpei Nagashima

Publication date 18 October 2010

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

Full work available at URL https://doi.org/10.1016/j.cpc.2004.01.008

zbMATH Keywords

sparsitytwo-electron integralelectron repulsion integralfour-index integral transformationpoint groupsymmetry adaptation

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Recommendations

• scientific article; zbMATH DE number 1264931
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• FOURTH ORDER SYMPLECTIC INTEGRATION WITH REDUCED PHASE ERROR

Cites work

• scientific article; zbMATH DE number 3481857 (Why is no real title available?)
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

Cited in

(4)

• Molecular symmetry in ab initio calculations
• New integral transforms for molecular properties and application to a massively parallel GIAO-SCF implementation
• Electron repulsion integrals for self-energy calculations
• New four-dimensional integrals by Mellin–Barnes transform

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