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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 45, 1982 - Issue 6
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Original Articles

Ab initio calculations of exchange repulsion between two Ar atoms

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
,
Sander van Smaalen Theoretical Chemistry Group, University of Utrecht, Padualaan 8, De Uithof-Utrecht, The Netherlands
&
Frans B. van Duijneveldt Theoretical Chemistry Group, University of Utrecht, Padualaan 8, De Uithof-Utrecht, The Netherlands
Pages 1271-1278 | Received 09 Nov 1981, Accepted 03 Dec 1981, Published online: 22 Aug 2006

Citations (13)

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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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Grzegorz Chałasiński. (1983) Perturbation calculations of the interaction energy between closed-shell Hartree-Fock atoms. Molecular Physics 49:6, pages 1353-1373.
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Articles from other publishers (11)

Alexei A. Buchachenko, Małgorzata M. Szczȩśniak & Grzegorz Chałasiński. (2006) van der Waals interactions and dipole polarizabilities of lanthanides: Tm(F2)–He and Yb(S1)–He potentials. The Journal of Chemical Physics 124:11.
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Carl Nyeland & J.Peter Toennies. (1994) A reassessment of electron-gas density-functional calculations of short range repulsive potentials for rare gas atoms. Chemical Physics 188:2-3, pages 205-220.
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Robert Moszynski, Bogumil/ Jeziorski & Krzysztof Szalewicz. (1994) Many-body theory of exchange effects in intermolecular interactions. Second-quantization approach and comparison with full configuration interaction results. The Journal of Chemical Physics 100:2, pages 1312-1325.
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Robert Moszynski, Bogumil/ Jeziorski, Artur Ratkiewicz & Stanisl/aw Rybak. (1993) Many-body perturbation theory of electrostatic interactions between molecules: Comparison with full configuration interaction for four-electron dimers. The Journal of Chemical Physics 99:11, pages 8856-8869.
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M. Bulski, P. E. S. Wormer & A. van der Avoird. (1991) A b   i n i t i o potential energy surfaces of Ar–H2O and Ar–D2O . The Journal of Chemical Physics 94:12, pages 8096-8104.
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M. Bulski, P. E. S. Wormer & A. van der Avoird. (1991) A b   i n i t i o potential energy surfaces of Ar–NH3 for different NH3 umbrella angles . The Journal of Chemical Physics 94:1, pages 491-500.
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P. Jankowski, B. Jeziorski, S. Rybak & K. Szalewicz. (1990) Symmetry-adapted perturbation theory calculation of the intra-atomic correlation contribution to the short-range repulsion of helium atoms. The Journal of Chemical Physics 92:12, pages 7441-7447.
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Krzysztof Pecul. (1990) The decomposition of the SCF and Heitler-London interaction energies for small and medium size basis sets. Journal of Molecular Structure: THEOCHEM 206:3-4, pages 211-233.
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David J. Funk, W. H. Breckenridge, Jack Simons & Grzegorz Chal/asiński. (1989) Mo/ller–Plesset perturbation theory calculation of alkaline earth–rare gas complexes: Ground states of Mg–He and Mg–Ar. The Journal of Chemical Physics 91:2, pages 1114-1120.
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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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El?bieta Radzio & Jan Andzelm. (1987) Reliable Gaussian basis sets for closed-shell atoms. Journal of Computational Chemistry 8:2, pages 117-131.
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