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Comment on “a generalized fast multipole approach for Hartree-Fock and density functional computations”

✍ Scribed by Christopher A. White; Benny G. Johnson; Peter M.W. Gill; Martin Head-Gordon

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 116 KB
Volume: 248
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)01351-2

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✦ Synopsis

Two approaches for forming the J-matrix of ab initio density functional theory calculations in time scaling linearly with molecular size are compared in terms of accuracy and efficiency.

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