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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 40, 1980 - Issue 5
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Original Articles

Ab initio calculations of intermolecular potentials

The ground state of the Ar2 van der Waals dimer

Fernand Spiegelmann Laboratoire de Physique Quantique (E.R.A. 821), Université Paul Sabatier, 118, route de Narbonne, 31077, Toulouse Cedex, France
&
Jean-Paul Malrieu Laboratoire de Physique Quantique (E.R.A. 821), Université Paul Sabatier, 118, route de Narbonne, 31077, Toulouse Cedex, France
Pages 1273-1284 | Received 10 Dec 1979, Published online: 23 Aug 2006

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Fu-Ming Tao. (2001) Bond functions, basis set superposition errors and other practical issues with ab initio calculations of intermolecular potentials. International Reviews in Physical Chemistry 20:4, pages 617-643.
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Maciej Gutowski, FransB. Van Duijneveldt, Grzegorz Chałasiński & Lucjan Piela. (1987) Proper correction for the basis set superposition error in SCF calculations of intermolecular interactions. Molecular Physics 61:1, pages 233-247.
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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 (16)

Yan Zhao & Donald G. Truhlar. (2006) Density Functionals for Noncovalent Interaction Energies of Biological Importance. Journal of Chemical Theory and Computation 3:1, pages 289-300.
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Sergi Vizoso, Michael G. Heinzle & Bernd M. Rode. (1994) Hydroxylamine–water: intermolecular potential function and simulation of hydrated NH 2 OH . J. Chem. Soc., Faraday Trans. 90:16, pages 2337-2344.
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Ernest R. Davidson & Subhas J. Chakravorty. (1994) A possible definition of basis set superposition error. Chemical Physics Letters 217:1-2, pages 48-54.
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Steve Scheiner. 1991. Reviews in Computational Chemistry. Reviews in Computational Chemistry 165 218 .
P. R. Herman, P. E. LaRocque & B. P. Stoicheff. (1988) Vacuum ultraviolet laser spectroscopy. V. Rovibronic spectra of Ar2 and constants of the ground and excited states. The Journal of Chemical Physics 89:8, pages 4535-4549.
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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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Zdzislaw Latajka & Steve Scheiner. (2004) Basis sets for molecular interactions. 1. Construction and tests on (HF) 2 and (H 2 O) 2 . Journal of Computational Chemistry 8:5, pages 663-673.
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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.Tolosa Arroyo, J.Espinosa Garcia, F.J.Olivares del Valle & A. Requena. (1986) Charge distribution analysis on Ar—H2 system. Journal of Molecular Structure: THEOCHEM 136:1-2, pages 99-110.
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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.
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Zdzisław Latajka & Steve Scheiner. (1985) Role of polarization functions in cation binding. H3NLi+ and H2OLi+. Chemical Physics 98:1, pages 59-70.
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M Hliwa, J -C Barthelat & J P Malrieu. (1985) A new method for the calculation of dispersion energies. Application of alkali-rare-gas interactions. Journal of Physics B: Atomic and Molecular Physics 18:12, pages 2433-2451.
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F.J. Olivares del Valle, S. Tolosa & J. Espinosa. (1985) Basis set superposition effects in electronic Populations Calculated on Hydrogen Bonded Systems. Journal of Molecular Structure: THEOCHEM 120, pages 277-283.
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F. J. Olivares Del Valle, S. Tolosa, A. Lopez Piñeiro & A. Requena. (2004) Ab initio calculations of intermolecular potentials. The ground state of the ArH 2 van der Waals molecule . Journal of Computational Chemistry 6:1, pages 39-45.
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M. C. Castex, M. Morlais, F. Spiegelmann & J. P. Malrieu. (1981) Comparison between experimentally and theoretically determined potential curves of the Ar2* lowest states. The Journal of Chemical Physics 75:10, pages 5006-5018.
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