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Krzysztof Szalewicz - Publications

Affiliations: 
Department of Physics and Astronomy University of Delaware, Newark, DE, United States 
Area:
Molecular Physics, Quantum Physics, Theory Physics
Website:
http://www.physics.udel.edu/~szalewic/
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241 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Szalewicz K, Jeziorski B. Physical mechanisms of intermolecular interactions from symmetry-adapted perturbation theory. Journal of Molecular Modeling. 28: 273. PMID 36006512 DOI: 10.1007/s00894-022-05190-z  0.351
2020 Garcia J, Podeszwa R, Szalewicz K. SAPT codes for calculations of intermolecular interaction energies. The Journal of Chemical Physics. 152: 184109. PMID 32414261 DOI: 10.1063/5.0005093  0.496
2020 Metz MP, Szalewicz K. A statistically guided grid generation method and its application to intermolecular potential energy surfaces. The Journal of Chemical Physics. 152: 134111. PMID 32268757 DOI: 10.1063/1.5141777  0.422
2020 Metz MP, Szalewicz K. Automatic Generation of Flexible-Monomer Intermolecular Potential Energy Surfaces. Journal of Chemical Theory and Computation. 16: 2317-2339. PMID 32240593 DOI: 10.1021/Acs.Jctc.9B01241  0.498
2020 Garcia J, Szalewicz K. Ab Initio Extended Hartree-Fock plus Dispersion Method Applied to Dimers with Hundreds of Atoms. The Journal of Physical Chemistry. A. PMID 31961678 DOI: 10.1021/Acs.Jpca.9B11900  0.549
2020 Puchalski M, Szalewicz K, Lesiuk M, Jeziorski B. QED calculation of the dipole polarizability of helium atom Physical Review A. 101. DOI: 10.1103/Physreva.101.022505  0.396
2019 Shahbaz M, Szalewicz K. Dispersion Energy from Local Polarizability Density. Physical Review Letters. 122: 213001. PMID 31283348 DOI: 10.1103/Physrevlett.122.213001  0.467
2019 Andrés J, Ayers PW, Boto RA, Carbó-Dorca R, Chermette H, Cioslowski J, Contreras-García J, Cooper DL, Frenking G, Gatti C, Heidar-Zadeh F, Joubert L, Martín Pendás Á, Matito E, Mayer I, ... ... Szalewicz K, et al. Nine questions on energy decomposition analysis. Journal of Computational Chemistry. PMID 31251411 DOI: 10.1002/Jcc.26003  0.669
2019 Metz MP, Szalewicz K, Sarka J, Tóbiás R, Császár AG, Mátyus E. Molecular dimers of methane clathrates: ab initio potential energy surfaces and variational vibrational states. Physical Chemistry Chemical Physics : Pccp. PMID 31206103 DOI: 10.1039/C9Cp00993K  0.51
2019 Akin-Ojo O, Szalewicz K. Does a pair of methane molecules aggregate in water? The Journal of Chemical Physics. 150: 084501. PMID 30823769 DOI: 10.1063/1.5083826  0.738
2019 Shahbaz M, Szalewicz K. Evaluation of methods for obtaining dispersion energies used in density functional calculations of intermolecular interactions Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-019-2414-5  0.524
2018 Garberoglio G, Jankowski P, Szalewicz K, Harvey AH. Fully quantum calculation of the second and third virial coefficients of water and its isotopologues from ab initio potentials. Faraday Discussions. PMID 30302450 DOI: 10.1039/C8Fd00092A  0.37
2018 Shahbaz M, Szalewicz K. Do Semilocal Density-Functional Approximations Recover Dispersion Energies at Small Intermonomer Separations? Physical Review Letters. 121: 113402. PMID 30265106 DOI: 10.1103/Physrevlett.121.113402  0.51
2017 Przybytek M, Cencek W, Jeziorski B, Szalewicz K. Pair Potential with Submillikelvin Uncertainties and Nonadiabatic Treatment of the Halo State of the Helium Dimer. Physical Review Letters. 119: 123401. PMID 29341636 DOI: 10.1103/Physrevlett.119.123401  0.493
2017 Stone AJ, Szalewicz K. Reply to "Comment on: 'Natural Bond Orbitals and the Nature of the Hydrogen Bond' ". The Journal of Physical Chemistry. A. PMID 29211474 DOI: 10.1021/Acs.Jpca.7B09307  0.372
2017 Garberoglio G, Jankowski P, Szalewicz K, Harvey AH. All-dimensional H2-CO potential: Validation with fully quantum second virial coefficients. The Journal of Chemical Physics. 146: 054304. PMID 28178790 DOI: 10.1063/1.4974993  0.415
2016 Metz MP, Piszczatowski K, Szalewicz K. Automatic Generation of Intermolecular Potential Energy Surfaces. Journal of Chemical Theory and Computation. 12: 5895-5919. PMID 27951663 DOI: 10.1021/Acs.Jctc.6B00913  0.536
2016 Taylor DE, Ángyán JG, Galli G, Zhang C, Gygi F, Hirao K, Song JW, Rahul K, Anatole von Lilienfeld O, Podeszwa R, Bulik IW, Henderson TM, Scuseria GE, Toulouse J, Peverati R, ... ... Szalewicz K, et al. Blind test of density-functional-based methods on intermolecular interaction energies. The Journal of Chemical Physics. 145: 124105. PMID 27782652 DOI: 10.1063/1.4961095  0.47
2016 Reilly AM, Cooper RI, Adjiman CS, Bhattacharya S, Boese AD, Brandenburg JG, Bygrave PJ, Bylsma R, Campbell JE, Car R, Case DH, Chadha R, Cole JC, Cosburn K, Cuppen HM, ... ... Szalewicz K, et al. Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 72: 439-59. PMID 27484368 DOI: 10.1107/S2052520616007447  0.69
2016 Faure A, Jankowski P, Stoecklin T, Szalewicz K. On the importance of full-dimensionality in low-energy molecular scattering calculations. Scientific Reports. 6: 28449. PMID 27333870 DOI: 10.1038/Srep28449  0.433
2016 Loboda O, Ingrosso F, Ruiz-López MF, Szalewicz K, Millot C. Geometry-dependent distributed polarizability models for the water molecule. The Journal of Chemical Physics. 144: 034304. PMID 26801031 DOI: 10.1063/1.4939519  0.422
2016 Puchalski M, Piszczatowski K, Komasa J, Jeziorski B, Szalewicz K. Theoretical determination of the polarizability dispersion and the refractive index of helium Physical Review a - Atomic, Molecular, and Optical Physics. 93. DOI: 10.1103/Physreva.93.032515  0.388
2016 Taylor DE, Ángyán JG, Galli G, Zhang C, Gygi F, Hirao K, Song JW, Rahul K, Anatole Von Lilienfeld O, Podeszwa R, Bulik IW, Henderson TM, Scuseria GE, Toulouse J, Peverati R, ... ... Szalewicz K, et al. Blind test of density-functional-based methods on intermolecular interaction energies Journal of Chemical Physics. 145. DOI: 10.1063/1.4961095  0.359
2015 Piszczatowski K, Puchalski M, Komasa J, Jeziorski B, Szalewicz K. Frequency-dependent polarizability of helium including relativistic effects with nuclear recoil terms. Physical Review Letters. 114: 173004. PMID 25978230 DOI: 10.1103/Physrevlett.114.173004  0.389
2015 Jankowski P, Murdachaew G, Bukowski R, Akin-Ojo O, Leforestier C, Szalewicz K. Ab initio water pair potential with flexible monomers. The Journal of Physical Chemistry. A. 119: 2940-64. PMID 25687650 DOI: 10.1021/Jp512847Z  0.819
2015 Chefdeville S, Stoecklin T, Naulin C, Jankowski P, Szalewicz K, Faure A, Costes M, Bergeat A. Experimental and theoretical analysis of low-energy CO + H2 inelastic collisions Astrophysical Journal Letters. 799. DOI: 10.1088/2041-8205/799/1/L9  0.456
2014 Szalewicz K. Determination of structure and properties of molecular crystals from first principles. Accounts of Chemical Research. 47: 3266-74. PMID 25354310 DOI: 10.1021/Ar500275M  0.517
2014 Garberoglio G, Jankowski P, Szalewicz K, Harvey AH. Path-integral calculation of the second virial coefficient including intramolecular flexibility effects. The Journal of Chemical Physics. 141: 044119. PMID 25084893 DOI: 10.1063/1.4890440  0.378
2014 van der Avoird A, Podeszwa R, Ensing B, Szalewicz K. Comment on "Communication: Benzene dimer--the free energy landscape" [J. Chem. Phys. 139, 201102 (2013)]. The Journal of Chemical Physics. 140: 227101. PMID 24929416 DOI: 10.1063/1.4882015  0.377
2014 Góra U, Cencek W, Podeszwa R, van der Avoird A, Szalewicz K. Predictions for water clusters from a first-principles two- and three-body force field. The Journal of Chemical Physics. 140: 194101. PMID 24852524 DOI: 10.1063/1.4875097  0.402
2014 Rob F, Misquitta AJ, Podeszwa R, Szalewicz K. Localized overlap algorithm for unexpanded dispersion energies. The Journal of Chemical Physics. 140: 114304. PMID 24655177 DOI: 10.1063/1.4867969  0.813
2014 Hoja J, Sax AF, Szalewicz K. Is electrostatics sufficient to describe hydrogen-bonding interactions? Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 2292-300. PMID 24453112 DOI: 10.1002/Chem.201303528  0.364
2014 Faure A, Remijan AJ, Szalewicz K, Wiesenfeld L. Weak maser emission of methyl formate toward sagittarius B2(N) in the green bank telescope primos survey Astrophysical Journal. 783. DOI: 10.1088/0004-637X/783/2/72  0.356
2013 Cencek W, Szalewicz K. On asymptotic behavior of density functional theory. The Journal of Chemical Physics. 139: 024104. PMID 23862926 DOI: 10.1063/1.4811833  0.478
2013 Cencek W, Garberoglio G, Harvey AH, McLinden MO, Szalewicz K. Three-body nonadditive potential for argon with estimated uncertainties and third virial coefficient. The Journal of Physical Chemistry. A. 117: 7542-52. PMID 23656531 DOI: 10.1021/Jp4018579  0.471
2013 Jankowski P, Surin LA, Potapov A, Schlemmer S, McKellar AR, Szalewicz K. A comprehensive experimental and theoretical study of H2-CO spectra. The Journal of Chemical Physics. 138: 084307. PMID 23464151 DOI: 10.1063/1.4791712  0.459
2013 Akin-Ojo O, Szalewicz K. How well can polarization models of pairwise nonadditive forces describe liquid water? The Journal of Chemical Physics. 138: 024316. PMID 23320692 DOI: 10.1063/1.4773821  0.737
2013 Mitroy J, Bubin S, Horiuchi W, Suzuki Y, Adamowicz L, Cencek W, Szalewicz K, Komasa J, Blume D, Varga K. Theory and application of explicitly correlated Gaussians Reviews of Modern Physics. 85: 693-749. DOI: 10.1103/Revmodphys.85.693  0.362
2013 Špirko V, Sauer SPA, Szalewicz K. Relation between properties of long-range diatomic bound states Physical Review a - Atomic, Molecular, and Optical Physics. 87. DOI: 10.1103/Physreva.87.012510  0.392
2013 Rob F, Szalewicz K. Distributed molecular polarisabilities and asymptotic intermolecular interaction energies† Molecular Physics. 111: 1430-1455. DOI: 10.1080/00268976.2013.808770  0.79
2013 Rob F, Szalewicz K. Asymptotic dispersion energies from distributed polarizabilities Chemical Physics Letters. 572: 146-149. DOI: 10.1016/J.Cplett.2013.04.025  0.775
2012 Podeszwa R, Cencek W, Szalewicz K. Efficient Calculations of Dispersion Energies for Nanoscale Systems from Coupled Density Response Functions. Journal of Chemical Theory and Computation. 8: 1963-9. PMID 26593831 DOI: 10.1021/Ct300200M  0.484
2012 Garberoglio G, Jankowski P, Szalewicz K, Harvey AH. Second virial coefficients of H2 and its isotopologues from a six-dimensional potential. The Journal of Chemical Physics. 137: 154308. PMID 23083166 DOI: 10.1063/1.4757565  0.339
2012 Leforestier C, Szalewicz K, van der Avoird A. Spectra of water dimer from a new ab initio potential with flexible monomers. The Journal of Chemical Physics. 137: 014305. PMID 22779646 DOI: 10.1063/1.4722338  0.459
2012 Cencek W, Przybytek M, Komasa J, Mehl JB, Jeziorski B, Szalewicz K. Effects of adiabatic, relativistic, and quantum electrodynamics interactions on the pair potential and thermophysical properties of helium. The Journal of Chemical Physics. 136: 224303. PMID 22713043 DOI: 10.1063/1.4712218  0.4
2012 Przybytek M, Jeziorski B, Cencek W, Komasa J, Mehl JB, Szalewicz K. Onset of Casimir-Polder retardation in a long-range molecular quantum state. Physical Review Letters. 108: 183201. PMID 22681072 DOI: 10.1103/Physrevlett.108.183201  0.343
2012 Jankowski P, McKellar AR, Szalewicz K. Theory untangles the high-resolution infrared spectrum of the ortho-H2-CO van der Waals complex. Science (New York, N.Y.). 336: 1147-50. PMID 22654055 DOI: 10.1126/Science.1221000  0.364
2012 Podeszwa R, Szalewicz K. Communication: Density functional theory overcomes the failure of predicting intermolecular interaction energies. The Journal of Chemical Physics. 136: 161102. PMID 22559463 DOI: 10.1063/1.4707166  0.479
2012 Szalewicz K. Symmetry-adapted perturbation theory of intermolecular forces Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 254-272. DOI: 10.1002/Wcms.86  0.5
2011 Góra U, Podeszwa R, Cencek W, Szalewicz K. Interaction energies of large clusters from many-body expansion. The Journal of Chemical Physics. 135: 224102. PMID 22168675 DOI: 10.1063/1.3664730  0.438
2011 Taylor DE, Rob F, Rice BM, Podeszwa R, Szalewicz K. A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force field. Physical Chemistry Chemical Physics : Pccp. 13: 16629-36. PMID 21860866 DOI: 10.1039/C1Cp21342C  0.792
2011 Faure A, Szalewicz K, Wiesenfeld L. Potential energy surface and rotational cross sections for methyl formate colliding with helium. The Journal of Chemical Physics. 135: 024301. PMID 21766936 DOI: 10.1063/1.3607966  0.445
2011 Cencek W, Komasa J, Szalewicz K. Collision-induced dipole polarizability of helium dimer from explicitly correlated calculations. The Journal of Chemical Physics. 135: 014301. PMID 21744896 DOI: 10.1063/1.3603968  0.454
2011 Cencek W, Rob F, Szalewicz K, Podeszwa R, Rice BM, Taylor D. Dispersion interactions in calculations of properties of energetic materials Proceedings - 2010 Dod High Performance Computing Modernization Program Users Group Conference, Hpcmp Ugc 2010. 208-212. DOI: 10.1109/HPCMP-UGC.2010.16  0.808
2010 Patkowski K, Szalewicz K. Argon pair potential at basis set and excitation limits. The Journal of Chemical Physics. 133: 094304. PMID 20831315 DOI: 10.1063/1.3478513  0.51
2010 van der Avoird A, Podeszwa R, Szalewicz K, Leforestier C, van Harrevelt R, Bunker PR, Schnell M, von Helden G, Meijer G. Vibration-rotation-tunneling states of the benzene dimer: an ab initio study. Physical Chemistry Chemical Physics : Pccp. 12: 8219-40. PMID 20485846 DOI: 10.1039/C002653K  0.497
2010 Podeszwa R, Patkowski K, Szalewicz K. Improved interaction energy benchmarks for dimers of biological relevance. Physical Chemistry Chemical Physics : Pccp. 12: 5974-9. PMID 20449509 DOI: 10.1039/B926808A  0.451
2010 Przybytek M, Cencek W, Komasa J, Łach G, Jeziorski B, Szalewicz K. Relativistic and quantum electrodynamics effects in the helium pair potential Physical Review Letters. 104. DOI: 10.1103/Physrevlett.104.183003  0.356
2010 Podeszwa R, Pernal K, Patkowski K, Szalewicz K. Extension of the Hartree-Fock plus dispersion method by first-order correlation effects Journal of Physical Chemistry Letters. 1: 550-555. DOI: 10.1021/Jz9002444  0.483
2010 Szalewicz K. Superfluid helium nanodroplets: 2006 Benjamin Franklin Medal in Physics presented to Giacinto Scoles and J. Peter Toennies Journal of the Franklin Institute. 347: 698-707. DOI: 10.1016/J.Jfranklin.2008.04.008  0.328
2010 Patkowski K, Szalewicz K, Jeziorski B. Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory Theoretical Chemistry Accounts. 127: 211-221. DOI: 10.1007/S00214-010-0748-0  0.514
2009 Pernal K, Podeszwa R, Patkowski K, Szalewicz K. Dispersionless density functional theory. Physical Review Letters. 103: 263201. PMID 20366310 DOI: 10.1103/Physrevlett.103.263201  0.51
2009 Patkowski K, Spirko V, Szalewicz K. On the elusive twelfth vibrational state of beryllium dimer. Science (New York, N.Y.). 326: 1382-4. PMID 19965753 DOI: 10.1126/Science.1181017  0.418
2009 Cencek W, Patkowski K, Szalewicz K. Full-configuration-interaction calculation of three-body nonadditive contribution to helium interaction potential. The Journal of Chemical Physics. 131: 064105. PMID 19691376 DOI: 10.1063/1.3204319  0.477
2009 Podeszwa R, Rice BM, Szalewicz K. Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles. Physical Chemistry Chemical Physics : Pccp. 11: 5512-8. PMID 19551222 DOI: 10.1039/B902015B  0.419
2009 Pernal K, Szalewicz K. Third-order dispersion energy from response functions. The Journal of Chemical Physics. 130: 034103. PMID 19173506 DOI: 10.1063/1.3058477  0.447
2009 Podeszwa R, Rice BM, Taylor D, Rob F, Szalewicz K. Predictions of properties of energetic materials from first principles Department of Defense Proceedings of the High Performance Computing Modernization Program - Users Group Conference, Hpcmp-Ugc 2009. 225-229. DOI: 10.1109/HPCMP-UGC.2009.38  0.728
2009 Szalewicz K, Leforestier C, van der Avoird A. Towards the complete understanding of water by a first-principles computational approach Chemical Physics Letters. 482: 1-14. DOI: 10.1016/J.Cplett.2009.09.029  0.303
2009 Przybytek M, Jeziorski B, Szalewicz K. Infinite-order functional for nonlinear parameters optimization in explicitly correlated coupled cluster theory International Journal of Quantum Chemistry. 109: 2872-2884. DOI: 10.1002/Qua.22214  0.433
2008 Patkowski K, Cencek W, Jankowski P, Szalewicz K, Mehl JB, Garberoglio G, Harvey AH. Potential energy surface for interactions between two hydrogen molecules. The Journal of Chemical Physics. 129: 094304. PMID 19044867 DOI: 10.1063/1.2975220  0.553
2008 Zuchowski PS, Podeszwa R, Moszyński R, Jeziorski B, Szalewicz K. Symmetry-adapted perturbation theory utilizing density functional description of monomers for high-spin open-shell complexes. The Journal of Chemical Physics. 129: 084101. PMID 19044812 DOI: 10.1063/1.2968556  0.417
2008 Podeszwa R, Rice BM, Szalewicz K. Predicting structure of molecular crystals from first principles. Physical Review Letters. 101: 115503. PMID 18851295 DOI: 10.1103/Physrevlett.101.115503  0.425
2008 Cencek W, Szalewicz K, Leforestier C, van Harrevelt R, van der Avoird A. An accurate analytic representation of the water pair potential. Physical Chemistry Chemical Physics : Pccp. 10: 4716-31. PMID 18688514 DOI: 10.1039/B809435G  0.45
2008 Podeszwa R, Szalewicz K. Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons. Physical Chemistry Chemical Physics : Pccp. 10: 2735-46. PMID 18464989 DOI: 10.1039/B719725J  0.44
2008 Bukowski R, Szalewicz K, Groenenboom GC, van der Avoird A. Polarizable interaction potential for water from coupled cluster calculations. II. Applications to dimer spectra, virial coefficients, and simulations of liquid water. The Journal of Chemical Physics. 128: 094314. PMID 18331100 DOI: 10.1063/1.2832858  0.396
2008 Bukowski R, Szalewicz K, Groenenboom GC, van der Avoird A. Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface. The Journal of Chemical Physics. 128: 094313. PMID 18331099 DOI: 10.1063/1.2832746  0.527
2008 van der Avoird A, Szalewicz K. Water trimer torsional spectrum from accurate ab initio and semiempirical potentials. The Journal of Chemical Physics. 128: 014302. PMID 18190191 DOI: 10.1063/1.2812556  0.407
2008 Podeszwa R, Rice BM, Rob F, Szalewicz K. Crystal structures from nonempirical force fields 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 187-190. DOI: 10.1109/DoD.HPCMP.UGC.2008.31  0.758
2008 Szalewicz K. Interplay between theory and experiment in investigations of molecules embedded in superfluid helium nanodroplets International Reviews in Physical Chemistry. 27: 273-316. DOI: 10.1080/01442350801933485  0.423
2008 Jankowski P, Szalewicz K. Effects of monomer flexibility on spectra of N2-HF Chemical Physics Letters. 459: 60-64. DOI: 10.1016/J.Cplett.2008.05.047  0.509
2008 Cencek W, Szalewicz K. Ultra-high accuracy calculations for hydrogen molecule and helium dimer International Journal of Quantum Chemistry. 108: 2191-2198. DOI: 10.1002/Qua.21740  0.443
2008 Jeziorska M, Cencek W, Patkowski K, Jeziorski B, Szalewicz K. Complete basis set extrapolations of dispersion, exchange, and coupled-clusters contributions to the interaction energy: A helium dimer study International Journal of Quantum Chemistry. 108: 2053-2075. DOI: 10.1002/Qua.21722  0.473
2007 Patkowski K, Podeszwa R, Szalewicz K. Interactions in diatomic dimers involving closed-shell metals. The Journal of Physical Chemistry. A. 111: 12822-38. PMID 18020431 DOI: 10.1021/Jp076412C  0.509
2007 Patkowski K, Szalewicz K. Frozen core and effective core potentials in symmetry-adapted perturbation theory. The Journal of Chemical Physics. 127: 164103. PMID 17979315 DOI: 10.1063/1.2784391  0.505
2007 Podeszwa R, Bukowski R, Rice BM, Szalewicz K. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory. Physical Chemistry Chemical Physics : Pccp. 9: 5561-9. PMID 17957312 DOI: 10.1039/B709192C  0.552
2007 Jeziorska M, Cencek W, Patkowski K, Jeziorski B, Szalewicz K. Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data. The Journal of Chemical Physics. 127: 124303. PMID 17902899 DOI: 10.1063/1.2770721  0.46
2007 Cencek W, Jeziorska M, Akin-Ojo O, Szalewicz K. Three-body contribution to the helium interaction potential. The Journal of Physical Chemistry. A. 111: 11311-9. PMID 17595067 DOI: 10.1021/Jp072106N  0.759
2007 Patkowski K, Cencek W, Jeziorska M, Jeziorski B, Szalewicz K. Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations. The Journal of Physical Chemistry. A. 111: 7611-23. PMID 17550239 DOI: 10.1021/Jp071437X  0.541
2007 Podeszwa R, Szalewicz K. Three-body symmetry-adapted perturbation theory based on Kohn-Sham description of the monomers. The Journal of Chemical Physics. 126: 194101. PMID 17523792 DOI: 10.1063/1.2733648  0.506
2007 Bukowski R, Szalewicz K, Groenenboom GC, van der Avoird A. Predictions of the properties of water from first principles. Science (New York, N.Y.). 315: 1249-52. PMID 17332406 DOI: 10.1126/Science.1136371  0.312
2007 Podeszwa R, Szalewicz K, Rice BM, Bukowski R. Predictions of crystal structures from first principles Department of Defense - Proceedings of the Hpcmp Users Group Conference 2007; High Performance Computing Modernization Program: a Bridge to Future Defense, Dod Hpcmp Ugc. 216-221. DOI: 10.1109/HPCMP-UGC.2007.62  0.437
2007 Rob F, Podeszwa R, Szalewicz K. Electrostatic interaction energies with overlap effects from a localized approach Chemical Physics Letters. 445: 315-320. DOI: 10.1016/J.Cplett.2007.07.065  0.79
2006 Podeszwa R, Bukowski R, Szalewicz K. Density-Fitting Method in Symmetry-Adapted Perturbation Theory Based on Kohn-Sham Description of Monomers. Journal of Chemical Theory and Computation. 2: 400-12. PMID 26626527 DOI: 10.1021/Ct050304H  0.423
2006 Patkowski K, Szalewicz K, Jeziorski B. Third-order interactions in symmetry-adapted perturbation theory. The Journal of Chemical Physics. 125: 154107. PMID 17059239 DOI: 10.1063/1.2358353  0.478
2006 Bukowski R, Szalewicz K, Groenenboom G, van der Avoird A. Interaction potential for water dimer from symmetry-adapted perturbation theory based on density functional description of monomers. The Journal of Chemical Physics. 125: 44301. PMID 16942136 DOI: 10.1063/1.2220040  0.514
2006 Podeszwa R, Bukowski R, Szalewicz K. Potential energy surface for the benzene dimer and perturbational analysis of pi-pi interactions. The Journal of Physical Chemistry. A. 110: 10345-54. PMID 16928128 DOI: 10.1021/Jp064095O  0.542
2006 Akin-Ojo O, Harvey AH, Szalewicz K. Methane-water cross second virial coefficient with quantum corrections from an ab initio potential. The Journal of Chemical Physics. 125: 014314. PMID 16863305 DOI: 10.1063/1.2207139  0.742
2006 Li X, Volkov AV, Szalewicz K, Coppens P. Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials. Acta Crystallographica. Section D, Biological Crystallography. 62: 639-47. PMID 16699191 DOI: 10.1107/S0907444906013072  0.51
2006 Bukowski R, Cencek W, Patkowski K, Jankowski P, Jeziorska M, Kołaski M, Szalewicz K. Portable parallel implementation of symmetry-adapted perturbation theory code Molecular Physics. 104: 2241-2262. DOI: 10.1080/00268970600693395  0.321
2006 Wernli M, Valiron P, Faure A, Wiesenfeld L, Jankowski P, Szalewicz K. Improved low-temperature rate constants for rotational excitation of CO by H$_\mathsf{2}$ Astronomy & Astrophysics. 446: 367-372. DOI: 10.1051/0004-6361:20053919  0.424
2005 Cencek W, Komasa J, Pachucki K, Szalewicz K. Relativistic correction to the helium dimer interaction energy. Physical Review Letters. 95: 233004. PMID 16384305 DOI: 10.1103/Physrevlett.95.233004  0.494
2005 Jiang H, Sarsa A, Murdachaew G, Szalewicz K, Bacić Z. (HCl)2 and (HF)2 in small helium clusters: quantum solvation of hydrogen-bonded dimers. The Journal of Chemical Physics. 123: 224313. PMID 16375482 DOI: 10.1063/1.2136358  0.734
2005 Misquitta AJ, Podeszwa R, Jeziorski B, Szalewicz K. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations. The Journal of Chemical Physics. 123: 214103. PMID 16356035 DOI: 10.1063/1.2135288  0.784
2005 Akin-Ojo O, Szalewicz K. Potential energy surface and second virial coefficient of methane-water from ab initio calculations. The Journal of Chemical Physics. 123: 134311. PMID 16223292 DOI: 10.1063/1.2033667  0.779
2005 Jankowski P, Szalewicz K. A new ab initio interaction energy surface and high-resolution spectra of the H2-CO van der Waals complex. The Journal of Chemical Physics. 123: 104301. PMID 16178591 DOI: 10.1063/1.2008216  0.504
2005 Misquitta AJ, Szalewicz K. Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers. The Journal of Chemical Physics. 122: 214109. PMID 15974730 DOI: 10.1063/1.1924593  0.762
2005 Patkowski K, Murdachaew G, Fou CM, Szalewicz K. Accurate ab initio potential for argon dimer including highly repulsive region Molecular Physics. 103: 2031-2045. DOI: 10.1080/00268970500130241  0.788
2005 Bukowski R, Podeszwa R, Szalewicz K. Efficient calculation of coupled Kohn-Sham dynamic susceptibility functions and dispersion energies with density fitting Chemical Physics Letters. 414: 111-116. DOI: 10.1016/J.Cplett.2005.08.048  0.479
2005 Podeszwa R, Szalewicz K. Accurate interaction energies for argon, krypton, and benzene dimers from perturbation theory based on the Kohn-Sham model Chemical Physics Letters. 412: 488-493. DOI: 10.1016/J.Cplett.2005.07.029  0.5
2005 Szalewicz K, Bukowski R, Jeziorski B. On the importance of many-body forces in clusters and condensed phase Theory and Applications of Computational Chemistry. 919-962. DOI: 10.1016/B978-044451719-7/50076-7  0.347
2005 Szalewicz K, Patkowski K, Jeziorski B. Intermolecular interactions via perturbation theory: From diatoms to biomolecules Structure and Bonding. 116: 43-117. DOI: 10.1007/430_004  0.352
2004 Murdachaew G, Szalewicz K, Jiang H, Bacić Z. Intermolecular potential energy surface and spectra of He-HCl with generalization to other rare gas-hydrogen halide complexes. The Journal of Chemical Physics. 121: 11839-55. PMID 15634146 DOI: 10.1063/1.1809604  0.813
2004 Patkowski K, Jeziorski B, Szalewicz K. Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion. The Journal of Chemical Physics. 120: 6849-62. PMID 15267584 DOI: 10.1063/1.1676119  0.528
2004 Obreshkov BD, Bakalov DD, Lepetit B, Szalewicz K. Collisional quenching of antiprotonic helium atoms in gaseous helium Physical Review a - Atomic, Molecular, and Optical Physics. 69: 042701-1. DOI: 10.1103/Physreva.69.042701  0.362
2004 Cencek W, Jeziorska M, Bukowski R, Jaszuński M, Jeziorski B, Szalewicz K. Helium Dimer Interaction Energies from Gaussian Geminal and Orbital Calculations Journal of Physical Chemistry A. 108: 3211-3224. DOI: 10.1021/Jp037544I  0.47
2004 Akin-Ojo O, Szalewicz K. Can accurate properties of methane clathrates be obtained from molecular simulations using ab initio force fields? Acs National Meeting Book of Abstracts. 228.  0.737
2003 Misquitta AJ, Jeziorski B, Szalewicz K. Dispersion energy from density-functional theory description of monomers. Physical Review Letters. 91: 033201. PMID 12906414 DOI: 10.1103/Physrevlett.91.033201  0.751
2003 Jeziorska M, Bukowski R, Cencek W, Jaszuński M, Jeziorski B, Szalewicz K. On the Performance of Bond Functions and Basis Set Extrapolation Techniques in High-Accuracy Calculations of Interatomic Potentials. A Helium Dimer Study Collection of Czechoslovak Chemical Communications. 68: 463-488. DOI: 10.1135/Cccc20030463  0.465
2003 Chang BT, Akin-Ojo O, Bukowski R, Szalewicz K. Potential energy surface and rovibrational spectrum of He-N2O dimer Journal of Chemical Physics. 119: 11654-11670. DOI: 10.1063/1.1624061  0.783
2003 Akin-Ojo O, Bukowski R, Szalewicz K. Ab initio studies of He-HCCCN interaction Journal of Chemical Physics. 119: 8379-8396. DOI: 10.1063/1.1612475  0.751
2003 Mas EM, Bukowski R, Szalewicz K. Ab initio three-body interactions for water. II. Effects on structure and energetics of liquid Journal of Chemical Physics. 118: 4404-4413. DOI: 10.1063/1.1542872  0.323
2003 Mas EM, Bukowski R, Szalewicz K. Ab initio three-body interactions for water. I. Potential and structure of water trimer Journal of Chemical Physics. 118: 4386-4403. DOI: 10.1063/1.1542871  0.503
2002 Murdachaew G, Szalewicz K, Bukowski R. Efficient generation of flexible-monomer intermolecular potential energy surfaces. Physical Review Letters. 88: 123202. PMID 11909458 DOI: 10.1103/Physrevlett.88.123202  0.795
2002 Patkowski K, Jeziorski B, Korona T, Szalewicz K. Symmetry-forcing procedure and convergence behavior of perturbation expansions for molecular interaction energies Journal of Chemical Physics. 117: 5124-5134. DOI: 10.1063/1.1499488  0.408
2002 Sum AK, Sandler SI, Bukowski R, Szalewicz K. Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. II. The mixture Journal of Chemical Physics. 116: 7637-7644. DOI: 10.1063/1.1464823  0.445
2002 Sum AK, Sandler SI, Bukowski R, Szalewicz K. Prediction of the phase behavior of acetonitrile and methanol with ab initio pair potentials. I. Pure components Journal of Chemical Physics. 116: 7627-7636. DOI: 10.1063/1.1464822  0.396
2002 Patkowski K, Korona T, Moszynski R, Jeziorski B, Szalewicz K. Ab initio potential energy surface and second virial coefficient for He-H2O complex Journal of Molecular Structure: Theochem. 591: 231-243. DOI: 10.1016/S0166-1280(02)00244-0  0.46
2002 Misquitta AJ, Szalewicz K. Intermolecular forces from asymptotically corrected density functional description of monomers Chemical Physics Letters. 357: 301-306. DOI: 10.1016/S0009-2614(02)00533-X  0.755
2001 Murdachaew G, Szalewicz K. Intermolecular potentials with flexible monomers. Faraday Discussions. 121-42; discussion 1. PMID 11605262 DOI: 10.1039/B009748I  0.782
2001 Cencek W, Szalewicz K, Jeziorski B. Breit-Pauli and direct perturbation theory calculations of relativistic helium polarizability Physical Review Letters. 86: 5675-5678. DOI: 10.1103/Physrevlett.86.5675  0.446
2001 Bukowski R, Szalewicz K. Complete ab initio three-body nonadditive potential in Monte Carlo simulations of vapor-liquid equilibria and pure phases of argon Journal of Chemical Physics. 114: 9518-9531. DOI: 10.1063/1.1370084  0.309
2001 Jankowski P, Tsang SN, Klemperer W, Szalewicz K. Spectra of N2-HF from symmetry-adapted perturbation theory potential Journal of Chemical Physics. 114: 8948-8963. DOI: 10.1063/1.1362326  0.509
2001 Murdachaew G, Misquitta AJ, Bukowski R, Szalewicz K. Intermolecular potential energy surfaces and spectra of Ne-HCN complex from ab initio calculations Journal of Chemical Physics. 114: 764-779. DOI: 10.1063/1.1331101  0.82
2001 Smit MJ, Groenenboom GC, Wormer PES, van der Avoird A, Bukowski R, Szalewicz K. Vibrations, Tunneling, and Transition Dipole Moments in the Water Dimer The Journal of Physical Chemistry A. 105: 6212-6225. DOI: 10.1021/Jp004609Y  0.337
2001 Patkowski K, Jeziorski B, Szalewicz K. Symmetry-adapted perturbation theory with regularized coulomb potential Journal of Molecular Structure: Theochem. 547: 293-307. DOI: 10.1016/S0166-1280(01)00478-X  0.46
2000 Bakalov D, Jeziorski B, Korona T, Szalewicz K, Tchoukova E. Density shift and broadening of transition lines in antiprotonic helium Physical Review Letters. 84: 2350-3. PMID 11018882 DOI: 10.1103/Physrevlett.84.2350  0.385
2000 Groenenboom GC, Mas EM, Bukowski R, Szalewicz K, Wormer PE, van Der Avoird A. Water pair and three-body potential of spectroscopic quality from Ab initio calculations Physical Review Letters. 84: 4072-5. PMID 10990613 DOI: 10.1103/Physrevlett.84.4072  0.413
2000 Misquitta AJ, Bukowski R, Szalewicz K. Spectra of Ar–CO2 fromab initiopotential energy surfaces The Journal of Chemical Physics. 112: 5308-5319. DOI: 10.1063/1.481120  0.76
2000 Lotrich VF, Szalewicz K. Perturbation theory of three-body exchange nonadditivity and application to helium trimer Journal of Chemical Physics. 112: 112-121. DOI: 10.1063/1.480567  0.445
2000 Groenenboom GC, Wormer PES, van der Avoird A, Mas EM, Bukowski R, Szalewicz K. Water pair potential of near spectroscopic accuracy. II. Vibration–rotation–tunneling levels of the water dimer The Journal of Chemical Physics. 113: 6702-6715. DOI: 10.1063/1.1311290  0.363
2000 Mas EM, Bukowski R, Szalewicz K, Groenenboom GC, Wormer PES, van der Avoird A. Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficients The Journal of Chemical Physics. 113: 6687-6701. DOI: 10.1063/1.1311289  0.48
2000 Jeziorska M, Jankowski P, Szalewicz K, Jeziorski B. On the optimal choice of monomer geometry in calculations of intermolecular interaction energies: rovibrational spectrum of Ar-HF from two- and three-dimensional potentials Journal of Chemical Physics. 113: 2957-2968. DOI: 10.1063/1.1287058  0.49
2000 Misquitta AJ, Bukowski R, Szalewicz K. Spectra of Ar-CO2 from ab initio potential energy surfaces Journal of Chemical Physics. 112: 5308-5319.  0.732
1999 Bukowski R, Jeziorski B, Szalewicz K. Gaussian geminals in explicitly correlated coupled cluster theory including single and double excitations Journal of Chemical Physics. 110: 4165-4183. DOI: 10.1063/1.479109  0.394
1999 Bukowski R, Sadlej J, Jeziorski B, Jankowski P, Szalewicz K, Kucharski SA, Williams HL, Rice BM. Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory The Journal of Chemical Physics. 110: 3785-3803. DOI: 10.1063/1.479108  0.506
1999 Mas EM, Lotrich VF, Szalewicz K. Third virial coefficient of argon Journal of Chemical Physics. 110: 6694-6701. DOI: 10.1063/1.478575  0.343
1999 Bukowski R, Szalewicz K, Chabalowski CF. Ab Initio Interaction Potentials for Simulations of Dimethylnitramine Solutions in Supercritical Carbon Dioxide with Cosolvents Journal of Physical Chemistry A. 103: 7322-7340. DOI: 10.1021/Jp991212P  0.423
1998 Stone AJ, Szalewicz K. The Theory of Intermodular Forces Physics Today. 51: 74-74. DOI: 10.1063/1.882153  0.304
1998 Szalewicz K, Jeziorski B. Comment on "on the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy" [J. Chem. Phys. 104, 8821 (1996)] Journal of Chemical Physics. 109: 1198-1200. DOI: 10.1063/1.476667  0.43
1998 Bukowski R, Jeziorski B, Szalewicz K. Analytic first-order properties from explicitly correlated many-body perturbation theory and Gaussian geminal basis Journal of Chemical Physics. 108: 7946-7958. DOI: 10.1063/1.476235  0.471
1998 Jankowski P, Szalewicz K. Ab initio potential energy surface and infrared spectra of H2-CO and D2-CO van der Waals complexes The Journal of Chemical Physics. 108: 3554-3565. DOI: 10.1063/1.475347  0.516
1998 Komasa J, Szalewicz K, Leszczyński J. Does the methyl group form a hydrogen bond? Ab initio post-Hartree-Fock study on ethane-hydrogen cyanide complex Chemical Physics Letters. 285: 449-454. DOI: 10.1016/S0009-2614(98)00053-0  0.365
1998 Jankowski P, Szalewicz K. Ab initio potential energy surface and infrared spectra of H2-CO and D2-CO van der Waals complexes Journal of Chemical Physics. 108: 3554-3565.  0.42
1998 Lotrich VF, Jankowski P, Szalewicz K. Symmetry-adapted perturbation theory of three-body nonadditivity in the Ar2HF trimer Journal of Chemical Physics. 108: 4725-4738.  0.329
1998 Lotrich VF, Szalewicz K, Jeziorski B. Multiple electron exchanges in calculations of pairwise nonadditive contribution to trimer interaction energy Polish Journal of Chemistry. 72: 1826-1848.  0.339
1997 Lotrich VF, Szalewicz K. Three-body contribution to binding energy of solid argon and analysis of crystal structure Physical Review Letters. 79: 1301-1304. DOI: 10.1103/Physrevlett.79.1301  0.444
1997 Mas EM, Szalewicz K, Bukowski R, Jeziorski B. Pair potential for water from symmetry-adapted perturbation theory Journal of Chemical Physics. 107: 4207-4218. DOI: 10.1063/1.474795  0.521
1997 Lotrich VF, Szalewicz K. Symmetry-adapted perturbation theory of three-body nonadditivity in Ar trimer Journal of Chemical Physics. 106: 9688-9702. DOI: 10.1063/1.473832  0.504
1997 Lotrich VF, Szalewicz K. Symmetry-adapted perturbation theory of three-body nonadditivity of intermolecular interaction energy Journal of Chemical Physics. 106: 9668-9687. DOI: 10.1063/1.473831  0.487
1997 Korona T, Williams HL, Bukowski R, Jeziorski B, Szalewicz K. Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets Journal of Chemical Physics. 106: 5109-5122. DOI: 10.1063/1.473556  0.559
1997 Jeziorski B, Bukowski R, Szalewicz K. Completeness criteria for explicitly correlated Gaussian geminal bases of axial symmetry International Journal of Quantum Chemistry. 61: 769-776. DOI: 10.1002/(Sici)1097-461X(1997)61:5<769::Aid-Qua4>3.0.Co;2-U  0.312
1997 Korona T, Williams HL, Bukowski R, Jeziorski B, Szalewicz K. Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets Journal of Chemical Physics. 106: 5109-5122.  0.343
1996 Mas EM, Szalewicz K. Effects of monomer geometry and basis set saturation on computed depth of water dimer potential Journal of Chemical Physics. 104: 7606-7614. DOI: 10.1063/1.471469  0.571
1996 Bukowski R, Jeziorski B, Szalewicz K. Basis set superposition problem in interaction energy calculations with explicitly correlated bases: Saturated second- and third-order energies for He2 Journal of Chemical Physics. 104: 3306-3319. DOI: 10.1063/1.471093  0.524
1996 Williams HL, Korona T, Bukowski R, Jeziorski B, Szalewicz K. Helium dimer potential from symmetry-adapted perturbation theory Chemical Physics Letters. 262: 431-436. DOI: 10.1016/0009-2614(96)01078-0  0.446
1996 Sohlberg K, Szalewicz K. Dynamical coupling of the diatom vibrational motions in collisions of N2 with N+2 Chemical Physics. 206: 87-101.  0.566
1996 Bukowski R, Jeziorski B, Szalewicz K. Basis set superposition problem in interaction energy calculations with explicitly correlated bases: Saturated second- and third-order energies for He2 Journal of Chemical Physics. 104: 3306-3319.  0.412
1995 Williams HL, Szalewicz K, Moszynski R, Jeziorski B. Dispersion energy in the coupled pair approximation with noniterative inclusion of single and triple excitations The Journal of Chemical Physics. 103: 4586-4599. DOI: 10.1063/1.470646  0.501
1995 Lotrich VF, Williams HL, Szalewicz K, Jeziorski B, Moszynski R, Wormer PES, van der Avoird A. Intermolecular potential and rovibrational levels of Ar–HF from symmetry‐adapted perturbation theory The Journal of Chemical Physics. 103: 6076-6092. DOI: 10.1063/1.470436  0.559
1995 Williams HL, Mas EM, Szalewicz K, Jeziorski B. On the effectiveness of monomer-, dimer-, and bond-centered basis functions in calculations of intermolecular interaction energies The Journal of Chemical Physics. 103: 7374-7391. DOI: 10.1063/1.470309  0.488
1995 Bukowski R, Jeziorski B, Rybak S, Szalewicz K. Second‐order correlation energy for H2O using explicitly correlated Gaussian geminals The Journal of Chemical Physics. 102: 888-897. DOI: 10.1063/1.469155  0.459
1995 Bukowski R, Jeziorski B, Rybak S, Szalewicz K. Second-order correlation energy for H2O using explicitly correlated Gaussian geminals The Journal of Chemical Physics. 102: 888-897.  0.344
1994 Moszynski R, Jeziorski B, Rybak S, Szalewicz K, Williams HL. Many‐body theory of exchange effects in intermolecular interactions. Density matrix approach and applications to He–F−, He–HF, H2–HF, and Ar–H2 dimers The Journal of Chemical Physics. 100: 5080-5092. DOI: 10.1063/1.467225  0.515
1994 Moszynski R, Jeziorski B, Szalewicz K. Many-body theory of exchange effects in intermolecular interactions. Second-quantization approach and comparison with full configuration interaction results The Journal of Chemical Physics. 100: 1312-1325. DOI: 10.1063/1.466661  0.531
1994 Bukowski R, Jeziorski B, Szalewicz K. New effective strategy of generating Gaussian-type geminal basis sets for correlation energy calculations The Journal of Chemical Physics. 100: 1366-1374. DOI: 10.1063/1.466614  0.455
1994 Jeziorski B, Moszynski R, Szalewicz K. Perturbation theory approach to intermolecular potential energy surfaces of van der Waals complexes Chemical Reviews. 94: 1887-1930. DOI: 10.1021/Cr00031A008  0.456
1994 Froelich P, Flores-Riveros A, Wallenius J, Szalewicz K. Fusion in flight from the molecular continuum of dtμ Physics Letters A. 189: 307-315. DOI: 10.1016/0375-9601(94)90101-5  0.368
1994 Cwiok T, Jeziorski B, Kolos W, Moszynski R, Szalewicz K. Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes Journal of Molecular Structure: Theochem. 307: 135-151. DOI: 10.1016/0166-1280(94)80124-X  0.533
1994 Moszynski R, Jeziorski B, Rybak S, Szalewicz K, Williams HL. Many-body theory of exchange effects in intermolecular interactions. Density matrix approach and applications to He-F-, He-HF, H 2-HF, and Ar-H2 dimers The Journal of Chemical Physics. 100: 5080-5092.  0.389
1993 Froelich P, Jeziorski B, Kolos W, Monkhorst H, Saenz A, Szalewicz K. Probability distribution of excitations to the electronic continuum of HeT+ following the beta decay of the T2 molecule. Physical Review Letters. 71: 2871-2874. PMID 10054800 DOI: 10.1103/Physrevlett.71.2871  0.337
1993 Williams HL, Szalewicz K, Jeziorski B, Moszynski R, Rybak S. Symmetry‐adapted perturbation theory calculation of the Ar–H2 intermolecular potential energy surface The Journal of Chemical Physics. 98: 1279-1292. DOI: 10.1063/1.464296  0.404
1993 Moszynski R, Jeziorski B, Szalewicz K. Møller-Plesset expansion of the dispersion energy in the ring approximation International Journal of Quantum Chemistry. 45: 409-431. DOI: 10.1002/Qua.560450502  0.433
1993 Williams HL, Szalewicz K, Jeziorski B, Moszynski R, Rybak S. Symmetry-adapted perturbation theory calculation of the Ar-H2 intermolecular potential energy surface The Journal of Chemical Physics. 98: 1279-1292.  0.411
1992 Ćwiok T, Jeziorski B, Kołos W, Moszynski R, Szalewicz K. On the convergence of the symmetrized Rayleigh-Schrödinger perturbation theory for molecular interaction energies The Journal of Chemical Physics. 97: 7555-7559. DOI: 10.1063/1.463475  0.495
1992 Moszynski R, Jeziorski B, Szalewicz K. Many-body symmetry-adapted perturbation theory study of the He⋯F- interaction Chemical Physics. 166: 329-339. DOI: 10.1016/0301-0104(92)80093-B  0.439
1992 Ćwiok T, Jeziorski B, Kołos W, Moszynski R, Rychlewski J, Szalewicz K. Convergence properties and large-order behavior of the polarization expansion for the interaction energy of hydrogen atoms Chemical Physics Letters. 195: 67-76. DOI: 10.1016/0009-2614(92)85912-T  0.454
1992 Ryback S, Szalewicz K, Jeziorski B, Corongiu G. Symmetry-adapted perturbation theory calculations of uracil-water interaction energy Chemical Physics Letters. 199: 567-573. DOI: 10.1016/0009-2614(92)85011-X  0.513
1991 Jeziorski B, Szalewicz K, Scrinzi A, Zhao X, Moszynski R, Kolos W, Velenik A. Muon sticking fractions for S states of the td micro muon including the effects of nuclear interactions. Physical Review. a, Atomic, Molecular, and Optical Physics. 43: 1640-1643. PMID 9905198 DOI: 10.1103/Physreva.43.1640  0.368
1991 Rybak S, Jeziorski B, Szalewicz K. Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers The Journal of Chemical Physics. 95: 6576-6601. DOI: 10.1063/1.461528  0.545
1991 Sohlberg K, Futrell J, Szalewicz K. The role of symmetry in collisions of N2 with N+2 Journal of Chemical Physics. 94: 6500-6507. DOI: 10.1063/1.460278  0.633
1991 Jeziorski B, Szalewicz K. Phase-space calculation of the three-particle decay rate of dtμ and the sudden approximation theory of sticking in muon catalyzed fusion Physics Letters A. 152: 240-244. DOI: 10.1016/0375-9601(91)90098-S  0.349
1991 Szalewicz K, Jeziorski B, Rybak S. Perturbation theory calculations of intermolecular interaction energies International Journal of Quantum Chemistry. 40: 23-36. DOI: 10.1002/Qua.560400708  0.541
1991 Sohlberg K, Futrell J, Szalewicz K. The role of symmetry in collisions of N2 with N2 + The Journal of Chemical Physics. 94: 6500-6507.  0.483
1991 Rybak S, Jeziorski B, Szalewicz K. Many-body symmetry-adapted perturbation theory of intermolecular interactions. H2O and HF dimers The Journal of Chemical Physics. 95: 6576-6601.  0.445
1990 Szalewicz K, Jeziorski B, Scrinzi A, Zhao X, Moszynski R, Kolos W, Froelich P, Monkhorst HJ, Velenik A. Effects of nuclear forces in muon-catalyzed fusion: Nonadiabatic treatment of energy shifts and fusion rates for S states of td micro. Physical Review. A. 42: 3768-3778. PMID 9904473 DOI: 10.1103/Physreva.42.3768  0.396
1990 Alexander SA, Monkhorst HJ, Roeland R, Szalewicz K. Obtaining microhartree accuracy for two‐electron systems with random‐tempered Gaussian‐type geminals Journal of Chemical Physics. 93: 4230-4235. DOI: 10.1063/1.458755  0.414
1990 Jankowski P, Jeziorski B, Rybak S, Szalewicz K. Symmetry-adapted perturbation theory calculation of the intra-atomic correlation contribution to the short-range repulsion of helium atoms The Journal of Chemical Physics. 92: 7441-7447. DOI: 10.1063/1.458230  0.494
1990 Sohlberg K, Szalewicz K. Fusion rates for deuterium in titanium clusters Physics Letters A. 144: 365-370. DOI: 10.1016/0375-9601(90)90142-B  0.653
1990 Alexander SA, Monkhorst HJ, Roeland R, Szalewicz K. Obtaining microhartree accuracy for two-electron systems with random-tempered Gaussian-type geminals The Journal of Chemical Physics. 93: 4230-4235.  0.3
1989 Scrinzi A, Szalewicz K. Energy shift in the [(td)e] system due to the finite size of the muonic molecular ion Physical Review A. 39: 4983-4990. DOI: 10.1103/Physreva.39.4983  0.409
1989 Scrinzi A, Szalewicz K. Auger transition rates for the muonic molecular ion td Physical Review A. 39: 2855-2861. DOI: 10.1103/Physreva.39.2855  0.394
1989 Rybak S, Szalewicz K, Jeziorski B. An accurate calculation of the first-order interaction energy for the helium dimer The Journal of Chemical Physics. 91: 4779-4784.  0.414
1988 Kolos W, Jeziorski B, Rychlewski J, Szalewicz K, Monkhorst HJ, Fackler O. Molecular effects in tritium beta decay. IV. Effect of crystal excitations on neutrino mass determination. Physical Review. a, General Physics. 37: 2297-2303. PMID 9899932 DOI: 10.1103/Physreva.37.2297  0.307
1988 Scrinzi A, Szalewicz K, Monkhorst HJ. Nonadiabatic rovibrational levels of hydrogenlike molecules formed in the process of muon-catalyzed fusion. Physical Review. a, General Physics. 37: 2270-2276. PMID 9899928 DOI: 10.1103/Physreva.37.2270  0.358
1988 Alexander SA, Monkhorst HJ, Szalewicz K. Random tempering of Gaussian-type geminals. III. Coupled pair calculations on lithium hydride and beryllium The Journal of Chemical Physics. 89: 355-359. DOI: 10.1063/1.455476  0.493
1988 Szalewicz K, Cole SJ, Kołos W, Bartlett RJ. A theoretical study of the water dimer interaction The Journal of Chemical Physics. 89: 3662-3673. DOI: 10.1063/1.454886  0.507
1988 Froelich P, Szalewicz K. Three-body resonances of dtμ above dμ threshold Physics Letters A. 129: 321-325. DOI: 10.1016/0375-9601(88)90341-6  0.341
1987 Szalewicz K, Monkhorst HJ, Kolos W, Scrinzi A. Variational calculation of the energy levels for the td micro ion. Physical Review. a, General Physics. 36: 5494-5497. PMID 9898835 DOI: 10.1103/Physreva.36.5494  0.392
1987 Szalewicz K, Monkhorst HJ, Kolos W, Scrinzi A. Variational calculation of the energy levels for the td ion Physical Review A. 36: 5494-5497. DOI: 10.1103/PhysRevA.36.5494  0.33
1987 Froelich P, Szalewicz K, Jeziorski B, Kolos W, Monkhorst HJ. Electronic resonances of HeT+ resulting from the beta decay of the tritium molecule Journal of Physics B: Atomic and Molecular Physics. 20: 6173-6187. DOI: 10.1088/0022-3700/20/23/010  0.394
1987 Moszynski R, Szalewicz K. Accurate electron densities of the hydrogen molecule Journal of Physics B: Atomic and Molecular Physics. 20: 4347-4364. DOI: 10.1088/0022-3700/20/17/015  0.338
1987 Alexander SA, Monkhorst HJ, Szalewicz K. Random tempering of Gaussian-type geminals. II. Molecular systems The Journal of Chemical Physics. 87: 3976-3980. DOI: 10.1063/1.452951  0.429
1987 Rybak S, Szalewicz K, Jeziorski B, Jaszunski M. Intraatomic correlation effects for the He-He dispersion and exchange-dispersion energies using explicitly correlated Gaussian geminals The Journal of Chemical Physics. 86: 5652-5659. DOI: 10.1063/1.452542  0.425
1986 Alexander SA, Monkhorst HJ, Szalewicz K. Random tempering of Gaussian-type geminals. I. Atomic systems The Journal of Chemical Physics. 85: 5821-5825. DOI: 10.1063/1.451543  0.437
1986 Wenzel KB, Zabolitzky JG, Szalewicz K, Jeziorski B, Monkhorst HJ. Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. V. Cartesian Gaussian geminals and the neon atom The Journal of Chemical Physics. 85: 3964-3974. DOI: 10.1063/1.450918  0.435
1986 Cole SJ, Szalewicz K, Purvis GD, Bartlett RJ. Correlated calculation of the interaction in the nitromethane dimer Journal of Chemical Physics. 84: 6833-6836. DOI: 10.1063/1.450687  0.519
1986 Kołos W, Szalewicz K, Monkhorst HJ. New Born-Oppenheimer potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule The Journal of Chemical Physics. 84: 3278-3283. DOI: 10.1063/1.450258  0.466
1986 Cole SJ, Szalewicz K, Bartlett RJ. Nitromethane dimer potential energy surface studies International Journal of Quantum Chemistry. 30: 695-711. DOI: 10.1002/Qua.560300512  0.415
1986 Cole SJ, Szalewicz K, Purvis GD, Bartlett RJ. Correlated calculation of the interaction in the nitromethane dimer The Journal of Chemical Physics. 84: 6833-6836.  0.428
1985 Kolos W, Jeziorski B, Monkhorst HJ, Szalewicz K. Quantum chemical contribution to electron neutrino mass determination International Journal of Quantum Chemistry. 28: 421-441. DOI: 10.1002/Qua.560280840  0.405
1984 Szalewicz K, Zabolitzky JG, Jeziorski B, Monkhorst HJ. Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. IV. A simplified treatment of strong orthogonality in MBPT and coupled cluster calculations The Journal of Chemical Physics. 81: 2723-2731. DOI: 10.1063/1.447984  0.446
1984 Jeziorski B, Monkhorst HJ, Szalewicz K, Zabolitzky JG. Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. III. Coupled cluster treatment for He, Be, H2, and LiH Journal of Chemical Physics. 81: 368-388. DOI: 10.1063/1.447315  0.47
1984 Szalewicz K, Kol/os W, Monkhorst HJ, Jackson C. Effect of vibrations on the energy unresolved electron scattering by H2 and D2 The Journal of Chemical Physics. 80: 1435-1439. DOI: 10.1063/1.446881  0.4
1983 Szalewicz K, Bogumil, Jeziorski, Monkhorst HJ, Zabolitzky JG. Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. II. Perturbation treatment through third order for He, Be, H2, and LiH Journal of Chemical Physics. 79: 5543-5552. DOI: 10.1063/1.445672  0.498
1983 Szalewicz K, Jeziorski B, Monkhorst HJ, Zabolitzky JG. Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. I. Second-order perturbation treatment for He, Be, H 2, and LiH The Journal of Chemical Physics. 78: 1420-1430. DOI: 10.1063/1.444884  0.489
1983 Kołos W, Monkhorst HJ, Szalewicz K. Generalized oscillator strengths for X-B transitions in the hydrogen molecule Atomic Data and Nuclear Data Tables. 28: 239-263. DOI: 10.1016/0092-640X(83)90016-5  0.351
1983 Szalewicz K, Jeziorski B, Monkhorst HJ, Zabolitzky JG. Atomic and molecular correlation energies with explicitly correlated Gaussian geminals. II. Perturbation treatment through third-order for He, Be, H2, and LiH The Journal of Chemical Physics. 79: 5543-5552.  0.374
1982 Wl, Kol o, Monkhorst HJ, Szalewicz K. Inelastic high‐energy electron scattering from a hydrogen molecule. I. X–B and X–E transitions Journal of Chemical Physics. 77: 1335-1344. DOI: 10.1063/1.443956  0.315
1982 Kol/os W, Monkhorst HJ, Szalewicz K. Energy unresolved differential cross section for electron scattering by H2 The Journal of Chemical Physics. 77: 1323-1334. DOI: 10.1063/1.443955  0.393
1982 Szalewicz K, Jeziorski B, Monkhorst HJ, Zabolitzky JG. A new functional for variational calculation of atomic and molecular second-order correlation energies Chemical Physics Letters. 91: 169-172. DOI: 10.1016/0009-2614(82)83634-8  0.378
1981 Szalewicz K, Monkhorst HJ. On application of 0s orbitals in SCF calculations The Journal of Chemical Physics. 75: 5785-5788. DOI: 10.1063/1.442017  0.452
1981 Monkhorst HJ, Szalewicz K. Wave functions in momentum space. I. Iterative computation for the helium atom in Hartree-Fock approximation The Journal of Chemical Physics. 75: 5782-5784. DOI: 10.1063/1.442016  0.407
1980 Jeziorski B, Schwalm WA, Szalewicz K. Analytic continuation in exchange perturbation theory The Journal of Chemical Physics. 73: 6215-6224. DOI: 10.1063/1.440116  0.426
1980 Cha?asi?aski G, Szalewicz K. Degenerate symmetry-adapted perturbation theory. Convergence properties of perturbation expansions for excited states of H2+ ion International Journal of Quantum Chemistry. 18: 1071-1089. DOI: 10.1002/Qua.560180414  0.466
1979 Jeziorski B, Szalewicz K. High-accuracy Compton profile of molecular hydrogen from explicitly correlated Gaussian wave function Physical Review A. 19: 2360-2365. DOI: 10.1103/Physreva.19.2360  0.404
1979 Szalewicz K, Jeziorski B. Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions: The he-he interaction Molecular Physics. 38: 191-208. DOI: 10.1080/00268977900101601  0.478
1979 Szalewicz K, Adamowicz L, Sadlej AJ. Molecular electric polarizabilities. CI and explicitly correlated electric-field-variant functions. Calculation of the polarizability of H2 Chemical Physics Letters. 61: 548-552. DOI: 10.1016/0009-2614(79)87170-5  0.348
1979 Jeziorski B, Szalewicz K, Jaszuński M. Padé approximants and the convergence problem in the perturbation theory of intermolecular interactions Chemical Physics Letters. 61: 391-395. DOI: 10.1016/0009-2614(79)80670-3  0.455
1978 Jeziorski B, Szalewicz K, Cha?asi?ski G. Symmetry forcing and convergence properties of perturbation expansions for molecular interaction energies International Journal of Quantum Chemistry. 14: 271-287. DOI: 10.1002/Qua.560140306  0.503
1977 ChaŁasiŃsfski G, Jeziorski B, Andzelm J, Szalewicz K. On the multipole structure of exchange dispersion energy in the interaction of two helium atoms Molecular Physics. 33: 971-977. DOI: 10.1080/00268977700100881  0.37
1977 Chałasiński G, Jeziorski B, Szalewicz K. On the convergence properties of the Rayleigh-Schrödinger and the Hirschfelder-Silbey perturbation expansions for molecular interaction energies International Journal of Quantum Chemistry. 11: 247-257. DOI: 10.1002/Qua.560110205  0.521
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