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Strategies for an efficient implementation of the Gauss-Bessel quadrature for the evaluation of multicenter integral over STFs.
J Comput Chem. 2008 Apr 30;29(6):934-44. doi: 10.1002/jcc.20850.
J Comput Chem. 2008.
PMID: 17999382
Numerical treatment of two-center overlap integrals.
Safouhi H.
Safouhi H.
J Mol Model. 2006 Jan;12(2):213-20. doi: 10.1007/s00894-005-0020-z. Epub 2005 Aug 27.
J Mol Model. 2006.
PMID: 16133089
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Erratum and answer to the comment by Harris on: Numerical treatment of two-center overlap integrals (J Mol Mod, 12,213-220, 2006).
Safouhi H.
Safouhi H.
J Mol Model. 2009 Dec;15(12):1541-3. doi: 10.1007/s00894-009-0510-5. Epub 2009 May 16.
J Mol Model. 2009.
PMID: 19449043
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