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An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions.
J Comput Chem. 2023 Sep 30;44(25):1998-2015. doi: 10.1002/jcc.27170. Epub 2023 Jun 25.
J Comput Chem. 2023.
PMID: 37526138
Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas.
Cuevas-Saavedra R, Chakraborty D, Rabi S, Cárdenas C, Ayers PW.
Cuevas-Saavedra R, et al. Among authors: chakraborty d.
J Chem Theory Comput. 2012 Nov 13;8(11):4081-93. doi: 10.1021/ct300325t. Epub 2012 Nov 1.
J Chem Theory Comput. 2012.
PMID: 26605575
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Relationships between the third-order reactivity indicators in chemical density-functional theory.
Cárdenas C, Echegaray E, Chakraborty D, Anderson JS, Ayers PW.
Cárdenas C, et al. Among authors: chakraborty d.
J Chem Phys. 2009 Jun 28;130(24):244105. doi: 10.1063/1.3151599.
J Chem Phys. 2009.
PMID: 19566140
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