| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 599 | 2016 |
| Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations AJ Misquitta, R Podeszwa, B Jeziorski, K Szalewicz The Journal of chemical physics 123 (21), 2005 | 577 | 2005 |
| Potential energy surface for the benzene dimer and perturbational analysis of π− π interactions R Podeszwa, R Bukowski, K Szalewicz The Journal of Physical Chemistry A 110 (34), 10345-10354, 2006 | 435 | 2006 |
| SAPT2008: An ab initio program for many-body symmetry-adapted perturbation theory calculations of intermolecular interaction energies R Bukowski, W Cencek, P Jankowski, M Jeziorska, B Jeziorski, ... University of Delaware and University of Warsaw, 2008 | 239 | 2008 |
| Dispersionless density functional theory K Pernal, R Podeszwa, K Patkowski, K Szalewicz Physical review letters 103 (26), 263201, 2009 | 202 | 2009 |
| Density-fitting method in symmetry-adapted perturbation theory based on Kohn− Sham description of monomers R Podeszwa, R Bukowski, K Szalewicz Journal of chemical theory and computation 2 (2), 400-412, 2006 | 182 | 2006 |
| Interaction energies of large clusters from many-body expansion U Góra, R Podeszwa, W Cencek, K Szalewicz The Journal of chemical physics 135 (22), 2011 | 176 | 2011 |
| Predicting structure of molecular crystals from first principles R Podeszwa, BM Rice, K Szalewicz Physical review letters 101 (11), 115503, 2008 | 176 | 2008 |
| Coupled-cluster singles and doubles for extended systems S Hirata, R Podeszwa, M Tobita, RJ Bartlett The Journal of chemical physics 120 (6), 2581-2592, 2004 | 167 | 2004 |
| Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons R Podeszwa, K Szalewicz Physical Chemistry Chemical Physics 10 (19), 2735-2746, 2008 | 157 | 2008 |
| Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons R Podeszwa The Journal of chemical physics 132 (4), 2010 | 146 | 2010 |
| Blind test of density-functional-based methods on intermolecular interaction energies DCE Taylor, JG Ángyán, G Galli, C Zhang, F Gygi, K Hirao, JW Song, ... The Journal of chemical physics 145 (12), 2016 | 127 | 2016 |
| Improved interaction energy benchmarks for dimers of biological relevance R Podeszwa, K Patkowski, K Szalewicz Physical Chemistry Chemical Physics 12 (23), 5974-5979, 2010 | 124 | 2010 |
| Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn–Sham model R Podeszwa, K Szalewicz Chemical physics letters 412 (4-6), 488-493, 2005 | 119 | 2005 |
| Efficient calculation of coupled Kohn–Sham dynamic susceptibility functions and dispersion energies with density fitting R Bukowski, R Podeszwa, K Szalewicz Chemical physics letters 414 (1-3), 111-116, 2005 | 118 | 2005 |
| Interactions in diatomic dimers involving closed-shell metals K Patkowski, R Podeszwa, K Szalewicz The Journal of Physical Chemistry A 111 (49), 12822-12838, 2007 | 111 | 2007 |
| Extension of the Hartree− Fock plus dispersion method by first-order correlation effects R Podeszwa, K Pernal, K Patkowski, K Szalewicz The Journal of Physical Chemistry Letters 1 (2), 550-555, 2010 | 104 | 2010 |
| Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers R Podeszwa, K Szalewicz The Journal of chemical physics 126 (19), 2007 | 96 | 2007 |
| Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory R Podeszwa, R Bukowski, BM Rice, K Szalewicz Physical Chemistry Chemical Physics 9 (41), 5561-5569, 2007 | 90 | 2007 |
| Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies R Podeszwa, K Szalewicz The Journal of Chemical Physics 136 (16), 2012 | 89 | 2012 |
