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Konrad Patkowski
Konrad Patkowski
Department of Chemistry and Biochemistry, Auburn University
Verified email at auburn.edu - Homepage
Title
Cited by
Cited by
Year
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
9802017
Revised damping parameters for the D3 dispersion correction to density functional theory
DGA Smith, LA Burns, K Patkowski, CD Sherrill
The journal of physical chemistry letters 7 (12), 2197-2203, 2016
2612016
PSI4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of chemical physics 152 (18), 184108, 2020
2582020
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
2302008
Dispersionless density functional theory
K Pernal, R Podeszwa, K Patkowski, K Szalewicz
Physical review letters 103 (26), 263201, 2009
1872009
Intermolecular interactions via perturbation theory: From diatoms to biomolecules
K Szalewicz, K Patkowski, B Jeziorski
Intermolecular Forces and Clusters II, 43-117, 2005
1852005
Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data
M Jeziorska, W Cencek, K Patkowski, B Jeziorski, K Szalewicz
The Journal of chemical physics 127 (12), 124303, 2007
1662007
Argon pair potential at basis set and excitation limits
K Patkowski, K Szalewicz
The Journal of chemical physics 133 (9), 094304, 2010
1412010
Potential energy surface for interactions between two hydrogen molecules
K Patkowski, W Cencek, P Jankowski, K Szalewicz, JB Mehl, ...
The Journal of chemical physics 129 (9), 094304, 2008
1362008
Accurate ab initio potential for argon dimer including highly repulsive region
K Patkowski, G Murdachaew, CM Fou, K Szalewicz*
Molecular Physics 103 (15-16), 2031-2045, 2005
1322005
Improved interaction energy benchmarks for dimers of biological relevance
R Podeszwa, K Patkowski, K Szalewicz
Physical Chemistry Chemical Physics 12 (23), 5974-5979, 2010
1192010
On the elusive twelfth vibrational state of beryllium dimer
K Patkowski, V Špirko, K Szalewicz
Science 326 (5958), 1382-1384, 2009
1092009
Third-order interactions in symmetry-adapted perturbation theory
K Patkowski, K Szalewicz, B Jeziorski
The Journal of chemical physics 125 (15), 154107, 2006
1042006
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
1032007
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development
DGA Smith, LA Burns, DA Sirianni, DR Nascimento, A Kumar, AM James, ...
Journal of chemical theory and computation 14 (7), 3504-3511, 2018
1012018
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
922010
Recent developments in symmetry‐adapted perturbation theory
K Patkowski
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (3), e1452, 2020
832020
Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations
K Patkowski, W Cencek, M Jeziorska, B Jeziorski, K Szalewicz
The Journal of Physical Chemistry A 111 (31), 7611-7623, 2007
652007
Ab initio potential energy surface and second virial coefficient for He–H2O complex
K Patkowski, T Korona, R Moszynski, B Jeziorski, K Szalewicz
Journal of Molecular Structure: THEOCHEM 591 (1-3), 231-243, 2002
602002
Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion
K Patkowski, B Jeziorski, K Szalewicz
The Journal of chemical physics 120 (15), 6849-6862, 2004
582004
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Articles 1–20