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Analytic derivatives for the Cholesky representation of the two-electron integrals

✍ Scribed by Aquilante, Francesco; Lindh, Roland; Pedersen, Thomas Bondo

Book ID
121529536
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
386 KB
Volume
129
Category
Article
ISSN
0021-9606

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Universal basis sets and Cholesky decomp
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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