54 Publications (Page 2 of 3)
2014
Toward an Accurate Description of Methane Physisorption on Carbon NanotubesSmith, Daniel G. A and Patkowski, KonradThe Journal of Physical Chemistry C, vol. 118, (no. 1), pp. 550, 20140109.
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2013
Basis set converged weak interaction energies from conventional and explicitly correlated coupled-cluster approach.Patkowski, KonradThe Journal of chemical physics, vol. 138, (no. 15), pp. 154101, 2013/Apr/21.
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Highly accurate potential energy surface for the He-H2 dimer.Bakr, Brandon W⋅Smith, Daniel G A and Patkowski, KonradThe Journal of chemical physics, vol. 139, (no. 14), pp. 144305, October 14, 2013.
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Interactions between Methane and Polycyclic Aromatic Hydrocarbons: A High Accuracy Benchmark StudySmith, Daniel G. A and Patkowski, KonradJournal of Chemical Theory and Computation, vol. 9, (no. 1), pp. 389, 20130108.
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2012
On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?Patkowski, KonradThe Journal of chemical physics, vol. 137, (no. 3), pp. 034103, 2012/Jul/21.
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2010
Argon pair potential at basis set and excitation limits.Patkowski, Konrad and Szalewicz, KrzysztofThe Journal of chemical physics, vol. 133, (no. 9), pp. 094304, 2010/Sep/7.
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Extension of the Hartree−Fock Plus Dispersion Method by First-Order Correlation EffectsPodeszwa, Rafał⋅Pernal, Katarzyna⋅Patkowski, Konrad and Szalewicz, KrzysztofThe Journal of Physical Chemistry Letters, vol. 1, (no. 2), pp. 555, 20100121.
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Improved interaction energy benchmarks for dimers of biological relevance.Podeszwa, Rafał⋅Patkowski, Konrad and Szalewicz, KrzysztofPhysical chemistry chemical physics : PCCP, vol. 12, (no. 23), pp. 5974-9, 2010/Jun/21.
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Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theoryPatkowski, Konrad⋅Szalewicz, Krzysztof and Jeziorski, BogumilTheoretical Chemistry Accounts, vol. 127, (no. 3), pp. 221, 2010-10-00.
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2009
Dispersionless density functional theory.Pernal, Katarzyna⋅Podeszwa, Rafał⋅Patkowski, Konrad and Szalewicz, KrzysztofPhysical review letters, vol. 103, (no. 26), pp. 263201, 2009/Dec/31.
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Dispersionless Density Functional TheoryPernal, Katarzyna⋅Podeszwa, Rafał⋅Patkowski, Konrad and Szalewicz, KrzysztofPhysical review letters, vol. 103, (no. 26), pp. 263201, 2009-Dec-31.
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Full-configuration-interaction calculation of three-body nonadditive contribution to helium interaction potential.Cencek, Wojciech⋅Patkowski, Konrad and Szalewicz, KrzysztofThe Journal of chemical physics, vol. 131, (no. 6), pp. 064105, 2009/Aug/14.
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On the Elusive Twelfth Vibrational State of Beryllium DimerPatkowski, Konrad⋅Spirko, Vladimír and Szalewicz, KrzysztofScience, vol. 326, (no. 5958), pp. 1382-1384, Dec 04, 2009.
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2008
Complete basis set extrapolations of dispersion, exchange, and coupled‐clusters contributions to the interaction energy: a helium dimer studyJeziorska, Małgorzata⋅Cencek, Wojciech⋅Patkowski, Konrad⋅Jeziorski, Bogumił and Szalewicz, KrzysztofInternational Journal of Quantum Chemistry, vol. 108, (no. 12), pp. 2075, 2008.
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Potential energy surface for interactions between two hydrogen molecules.Patkowski, Konrad⋅Cencek, Wojciech⋅Jankowski, Piotr⋅Szalewicz, Krzysztof⋅Mehl, James B⋅Garberoglio, Giovanni and Harvey, Allan HThe Journal of chemical physics, vol. 129, (no. 9), pp. 094304, 2008/Sep/7.
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2007
Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations.Patkowski, Konrad⋅Cencek, Wojciech⋅Jeziorska, Małgorzata⋅Jeziorski, Bogumił and Szalewicz, KrzysztofThe journal of physical chemistry. A, vol. 111, (no. 31), pp. 7611-23, 2007/Aug/9.
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Frozen core and effective core potentials in symmetry-adapted perturbation theory.Patkowski, Konrad and Szalewicz, KrzysztofThe Journal of chemical physics, vol. 127, (no. 16), pp. 164103, 2007/Oct/28.
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Interactions in diatomic dimers involving closed-shell metals.Patkowski, Konrad⋅Podeszwa, Rafał and Szalewicz, KrzysztofThe journal of physical chemistry. A, vol. 111, (no. 49), pp. 12822-38, 2007/Dec/13.
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Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data.Jeziorska, Małgorzata⋅Cencek, Wojciech⋅Patkowski, Konrad⋅Jeziorski, Bogumił and Szalewicz, KrzysztofThe Journal of chemical physics, vol. 127, (no. 12), pp. 124303, 2007/Sep/28.
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2006
Portable parallel implementation of symmetry-adapted perturbation theory codeBukowski, Robert⋅Cencek, Wojciech⋅Patkowski, Konrad⋅Jankowski, Piotr⋅Jeziorska, MałGorzata⋅Kołaski¶, Maciej and Szalewicz, KrzysztofMolecular Physics, vol. 104, (no. 13-14), pp. 2262, 7/10/2006.
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Third-order interactions in symmetry-adapted perturbation theory.Patkowski, Konrad⋅Szalewicz, Krzysztof and Jeziorski, Bogumi?The Journal of chemical physics, vol. 125, (no. 15), pp. 154107, 2006/Oct/21.
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2005
Accurate ab initio potential for argon dimer including highly repulsive regionPatkowski, Konrad⋅Murdachaew, Garold⋅Fou, Cheng-Ming and Szalewicz, KrzysztofMolecular Physics, vol. 103, (no. 15-16), pp. 2045, 8/10/2005.
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2004
Convergence Behavior of Symmetry-Adapted Perturbation Expansions for Excited States. A Model Study of Interactions Involving a Triplet Helium AtomPrzybytek, Michał⋅Patkowski, Konrad and Jeziorski, BogumiłCollection of Czechoslovak Chemical Communications, vol. 69, (no. 1), pp. 176, 2004-00-00.
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Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion.Patkowski, Konrad⋅Jeziorski, Bogumil and Szalewicz, KrzysztofThe Journal of chemical physics, vol. 120, (no. 15), pp. 6849-62, 2004/Apr/15.
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2002
Ab initio potential energy surface and second virial coefficient for He–H2O complexPatkowski, Konrad⋅Korona, Tatiana⋅Moszynski, Robert⋅Jeziorski, Bogumil and Szalewicz, KrzysztofJournal of Molecular Structure: THEOCHEM, vol. 591, (no. 1-3), pp. 243, 2002-08-00.
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