Can the counterpoise correction for basis set superposition effect be justified? ŁM Mentel, EJ Baerends Journal of Chemical Theory and Computation 10 (1), 252-267, 2014 | 198 | 2014 |
Scattering lengths in isotopologues of the RbYb system M Borkowski, PS Żuchowski, R Ciuryło, PS Julienne, D Kędziera, ... Physical Review A 88 (5), 052708, 2013 | 82 | 2013 |
On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies OV Gritsenko, ŁM Mentel, EJ Baerends The Journal of Chemical Physics 144 (20), 2016 | 64 | 2016 |
Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range XW Sheng, L Mentel, OV Gritsenko, EJ Baerends Journal of computational chemistry 32 (13), 2896-2901, 2011 | 58 | 2011 |
Recovering four-component solutions by the inverse transformation of the infinite-order two-component wave functions M Barysz, Ł Mentel, J Leszczyński The Journal of chemical physics 130 (16), 2009 | 47 | 2009 |
Deactivation of zeolite catalyst H-ZSM-5 during conversion of methanol to gasoline: operando time-and space-resolved X-ray diffraction D Rojo-Gama, L Mentel, GN Kalantzopoulos, DK Pappas, I Dovgaliuk, ... The Journal of Physical Chemistry Letters 9 (6), 1324-1328, 2018 | 39 | 2018 |
The density matrix functional approach to electron correlation: Dynamic and nondynamic correlation along the full dissociation coordinate ŁM Mentel, R Van Meer, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 140 (21), 2014 | 37 | 2014 |
Ultracold mixtures of metastable He and Rb: Scattering lengths from ab initio calculations and thermalization measurements S Knoop, PS Żuchowski, D Kȩdziera, M Puchalski, HP Mishra, AS Flores, ... Physical Review A 90 (2), 022709, 2014 | 22 | 2014 |
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 numbers XW Sheng, ŁM Mentel, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 138 (16), 2013 | 21 | 2013 |
A Systematic Study of Isomorphically Substituted H‐MAlPO‐5 Materials for the Methanol‐to‐Hydrocarbons Reaction M Mortén, Ł Mentel, A Lazzarini, IA Pankin, C Lamberti, S Bordiga, ... ChemPhysChem 19 (4), 484-495, 2018 | 20 | 2018 |
On the formulation of a density matrix functional for Van der Waals interaction of like-and opposite-spin electrons in the helium dimer ŁM Mentel, XW Sheng, OV Gritsenko, EJ Baerends The Journal of Chemical Physics 137 (20), 2012 | 11 | 2012 |
Ab initio interaction potentials and scattering lengths for ultracold mixtures of metastable helium and alkali-metal atoms D Kędziera, Ł Mentel, PS Żuchowski, S Knoop Physical Review A 91 (6), 062711, 2015 | 10 | 2015 |
Reduced Density Matrix inspired approaches to electronic structure theory LM Mentel | 3 | 2015 |
On the influence of catalyst acid strength in the methanol to hydrocarbons (MTH) and related reactions M Morten, L Mentel, A Lazzarini, I Pankin, C Lamberti, S Bordiga, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
Chasing the limits of the one electron approximation D Kędziera, ŁM Mentel AIP Conference Proceedings 1618 (1), 1006-1008, 2014 | | 2014 |
Reduced Density Matrix inspired approaches to electronic structure theory FA van der Duyn Schouten, LM Mentel | | |
Wave function in the relativistic two componet methods D Kedziera, L Mentel BOOK OF ABSTRACTS, 34, 0 | | |
Descriptor Based Approach to Modelling Acidic Zeotype Materials ŁM Mentel, O Swang, RY Brogaard, U Olsbye | | |