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Kohn-Sham exchange-correlation potentials from second-order reduced density matrices.
J Chem Phys. 2015 Dec 28;143(24):244116. doi: 10.1063/1.4937943.
J Chem Phys. 2015.
PMID: 26723660
Generalized average local ionization energy and its representations in terms of Dyson and energy orbitals.
Kohut SV, Cuevas-Saavedra R, Staroverov VN.
Kohut SV, et al. Among authors: cuevas saavedra r.
J Chem Phys. 2016 Aug 21;145(7):074113. doi: 10.1063/1.4961071.
J Chem Phys. 2016.
PMID: 27544093
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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.
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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Response to "Comment on 'Kohn-Sham exchange-correlation potentials from second-order reduced density matrices'" [J. Chem. Phys. 145, 037101 (2016)].
Ryabinkin IG, Kohut SV, Cuevas-Saavedra R, Ayers PW, Staroverov VN.
Ryabinkin IG, et al. Among authors: cuevas saavedra r.
J Chem Phys. 2016 Jul 21;145(3):037102. doi: 10.1063/1.4958623.
J Chem Phys. 2016.
PMID: 27448911
No abstract available.
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The unconstrained local hardness: an intriguing quantity, beset by problems.
Cuevas-Saavedra R, Rabi N, Ayers PW.
Cuevas-Saavedra R, et al.
Phys Chem Chem Phys. 2011 Nov 21;13(43):19594-600. doi: 10.1039/c1cp21646e. Epub 2011 Oct 10.
Phys Chem Chem Phys. 2011.
PMID: 21984043
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