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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 49, 1983 - Issue 6
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Original Articles

Perturbation calculations of the interaction energy between closed-shell Hartree-Fock atoms

The neon dimerFootnote†

Grzegorz Chałasiński Theoretical Chemistry Group, University of Utrecht , Padualaan 8, De Uithof-Utrecht, The Netherlands; Department of Chemistry, University of Warsaw , Pasteura 1, 02-093, Warsaw, Poland
Pages 1353-1373 | Received 01 Dec 1982, Accepted 14 Mar 1983, Published online: 23 Aug 2006

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CHRISTIAN F. KUNZ. (1996) Ab initio study of the individual interaction energy components in the ground state of the mercury dimer. Molecular Physics 89:1, pages 139-156.
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ROBERT MOSZYNSKI. (1996) Symmetry-adapted perturbation theory for the calculation of Hartree-Fock interaction energies. Molecular Physics 88:3, pages 741-758.
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W. Rijks, M. Gerritsen & P.E.S. Wormer. (1989) Computation of the short range repulsion energy from correlated monomer wavefunctions in van der Waals dimers containing He, Ne, and N2 . Molecular Physics 66:5, pages 929-953.
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Maciej Gutowski & Lucjan Piela. (1988) Interpretation of the Hartree-Fock interaction energy between closed-shell systems. Molecular Physics 64:2, pages 337-355.
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G. Chałasiński & M.M. Szcześniak. (1988) On the connection between the supermolecular Møller-Plesset treatment of the interaction energy and the perturbation theory of intermolecular forces. Molecular Physics 63:2, pages 205-224.
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Jan Andzelm, Sigeru Huzinaga, Mariusz Klobukowski & Elżbieta Radzio. (1984) Model potential study of the interactions in Ar2, Kr2 and Xe2 dimers. Molecular Physics 52:6, pages 1495-1513.
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Articles from other publishers (25)

J. Langlet, J. Caillet, J. Bergès & P. Reinhardt. (2003) Comparison of two ways to decompose intermolecular interactions for hydrogen-bonded dimer systems. The Journal of Chemical Physics 118:14, pages 6157-6166.
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Jacqueline Langlet, Jacqueline Caillet & Michel Caffarel. (1995) A perturbational study of some hydrogen-bonded dimers. The Journal of Chemical Physics 103:18, pages 8043-8057.
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Grzegorz Chal/asiński, Mal/gorzata M. Szczȩśniak & Rick A. Kendall. (1994) Supermolecular approach to many-body dispersion interactions in weak van der Waals complexes: He, Ne, and Ar trimers. The Journal of Chemical Physics 101:10, pages 8860-8869.
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C. Kozmutza, E. Kapuy & E.M. Evleth. (2004) Calculation of the interaction energy in a localized representation for a trimer (Ne 3 ) system . Journal of Computational Chemistry 14:10, pages 1136-1141.
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John M. Millam & Ludwik Adamowicz. (1992) Numerical Hartree-Fock characterization of the metastable state of the ion . Physical Review A 46:5, pages 2325-2329.
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Sl/awomir M. Cybulski. (1992) Analysis of dispersion interaction: Noble gas dimers. The Journal of Chemical Physics 96:11, pages 8225-8235.
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Rolf Eggenberger, Stefan Gerber, Hanspeter Huber & Debra Searles. (1991) Ab initio calculation of the second virial coefficient of neon and the potential energy curve of Ne2. Chemical Physics 156:3, pages 395-401.
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O. Hess, M. Caffarel, C. Huiszoon & P. Claverie. (1990) Second-order exchange effects in intermolecular interactions. The water dimer. The Journal of Chemical Physics 92:10, pages 6049-6060.
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S. M. Cybulski, G. Chal/asiński & R. Moszyński. (1990) On decomposition of second-order Mo/ller–Plesset supermolecular interaction energy and basis set effects. The Journal of Chemical Physics 92:7, pages 4357-4363.
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Sławomir M. Cybulski & Steve Scheiner. (1990) Comparison of Morokuma and perturbation theory approaches to decomposition of interaction energy. (NH4)+…NH3. Chemical Physics Letters 166:1, pages 57-64.
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T. W. Dingle, S. Huzinaga & M. Klobukowski. (2004) Contraction of the well‐tempered Gaussian basis sets: The first‐row diatomic molecules. Journal of Computational Chemistry 10:6, pages 753-769.
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Krzysztof Szalewicz, Samuel J. Cole, Wl/odzimierz Kol/os & Rodney J. Bartlett. (1988) A theoretical study of the water dimer interaction. The Journal of Chemical Physics 89:6, pages 3662-3673.
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Grzegorz Chal/asiński, David J. Funk, Jack Simons & W. H. Breckenridge. (1987) Mo/ller–Plesset perturbation theory for van der Waals complexes bound by electron correlation effects: Ground states of the Ar and Mg dimers. The Journal of Chemical Physics 87:6, pages 3569-3579.
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Małgorzata Jeziorska, Bogumił Jeziorski & Jiří Čížek. (2004) Direct calculation of the Hartree–Fock interaction energy via exchange–perturbation expansion. The He …︁ He interaction. International Journal of Quantum Chemistry 32:2, pages 149-164.
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Stanislaw Rybak, Krzysztof Szalewicz, Bogumil Jeziorski & Michal Jaszunski. (1987) Intraatomic correlation effects for the He–He dispersion and exchange–dispersion energies using explicitly correlated Gaussian geminals. The Journal of Chemical Physics 86:10, pages 5652-5659.
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Joachim Sauer, Barbara Kathan & Reinhart Ahlrichs. (1987) The H2OMg van der waals complex — a theoretical study. Chemical Physics 113:2, pages 201-209.
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J. Sauer, P. Hobza, P. Čärsky & R. Zahradni'k. (1987) Applicability of the supermolecule MP2 approach to intermolecular interactions: He2 and Ne2. Chemical Physics Letters 134:6, pages 553-559.
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Maciej Gutowski, Jacob Verbeek, Joop H. van Lenthe & Grzegorz Chałasiński. (1987) The impact of higher polarization functions of second-order dispersion energy. Partial wave expansion and damping phenomenon for He2. Chemical Physics 111:2, pages 271-283.
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J. H. Van Lenthe, J. G. C. M. Duijneveldt‐Van Devan Rijdt & F. B. Van Duijneveldt. 1987. Advances in Chemical Physics. Advances in Chemical Physics 521 566 .
S. Roszak, W. A. Sokalski, P. C. Hariharan & Joyce J. Kaufman. (1986) Procedure supplementing SCF interaction energies by dispersion term evaluated in dimer basis set within variation-perturbation approach. Theoretica Chimica Acta 70:2, pages 81-88.
Crossref
Samuel J. Cole, Krzysztof Szalewicz, George D. PurvisIIIIII & Rodney J. Bartlett. (1986) Correlated calculation of the interaction in the nitromethane dimer. The Journal of Chemical Physics 84:12, pages 6833-6836.
Crossref
Robert J. Harrison & Rodney J. Bartlett. (1986) A many-body perturbation theory and coupled cluster study of the water dimer. International Journal of Quantum Chemistry 30:S20, pages 437-443.
Crossref
M. Gutowski, J.H. Van Lenthe, J. Verbeek, F.B. Van Duijneveldt & G. Chałasinski. (1986) The basis set superposition error in correlated electronic structure calculations. Chemical Physics Letters 124:4, pages 370-375.
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Jan Andzelm, Sigeru Huzinaga, Mariusz Klobukowski & Elżbieta Radzio. (1985) Model potential study of the interactions in ArHCl, ArHBr, KrHCl and XeHCl systems. Chemical Physics 100:1, pages 1-11.
Crossref
G. Chałasiński, J.H. van Lenthe & Th.P. Groen. (1984) An analysis of the partial wave expansion of the dispersion energy for Ne2. Chemical Physics Letters 110:4, pages 369-374.
Crossref

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