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Journal of Chemical Theory and Computation|November 19, 2015
Can the Counterpoise Correction for Basis Set Superposition Effect Be Justified?Ł M Mentel, E J Baerends
The Journal of Chemical Physics|June 3, 2016
On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energiesO V Gritsenko, Ł M Mentel, E J Baerends
The Journal of Chemical Physics|December 5, 2012
On the formulation of a density matrix functional for Van der Waals interaction of like- and opposite-spin electrons in the helium dimerŁ M Mentel, X W Sheng, O V Gritsenko, et al.
The Journal of Chemical Physics|May 3, 2013
A natural orbital analysis of the long range behavior of chemical bonding and van der Waals interaction in singlet H2: the issue of zero natural orbital occupation numbersX W Sheng, Ł M Mentel, O V Gritsenko, et al.
The Journal of Chemical Physics|June 9, 2014
The density matrix functional approach to electron correlation: dynamic and nondynamic correlation along the full dissociation coordinateŁ M Mentel, R van Meer, O V Gritsenko, et al.
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