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Construction of the two-electron contribution to the Fock matrix by numerical integration

✍ Scribed by Losilla, Sergio A.; Mehine, Mooses M.; Sundholm, Dage


Book ID
126762281
Publisher
Taylor and Francis Group
Year
2012
Tongue
English
Weight
836 KB
Volume
110
Category
Article
ISSN
0026-8976

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It is shown that, for a one-centre universal even-tempered basis set containing N functions, only N of the N(N + 1)/2 eigenvalues of the two-electron integral matrix are larger than some small ΓΆ as N becomes large and thus only N of the rows or columns of the matrix are linearly independent in this