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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 39, 1980 - Issue 5
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Original Articles

Long range induction and dispersion interactions between Hartree-Fock subsystems

Pages 1249-1264 | Received 04 Sep 1979, Published online: 23 Aug 2006

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Read on this site (8)

Péter R. Surján & Gábor Tóth. (2006) The high-rank Hartree–Fock method as an averaging procedure. Molecular Physics 104:13-14, pages 2037-2046.
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TINO G. A. HEIJMEN, ROBERT MOSZYNSKI, PAUL E. S. WORMER & AD VAN DER AVOIRD. (1996) Symmetry-adapted perturbation theory applied to interaction-induced properties of collisional complexes. Molecular Physics 89:1, pages 81-110.
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P.W. Fowler & A.J. Sadlej. (1992) Long-range and overlap effects on collision-induced properties. Molecular Physics 77:4, pages 709-725.
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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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GeerdH.F. Diercksen & AndrzejJ. Sadlej. (1986) MBPT studies of van der Waals molecules. Molecular Physics 59:5, pages 889-909.
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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 (65)

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Eduardo M. Sproviero. (2018) Intramolecular Natural Energy Decomposition Analysis: Applications to the Rational Design of Foldamers. Journal of Computational Chemistry 39:20, pages 1367-1386.
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Paul R. Horn, Eric Jon Sundstrom, Thomas A. Baker & Martin Head-Gordon. (2013) Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals. The Journal of Chemical Physics 138:13.
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Ka Un Lao & John M. Herbert. (2012) Breakdown of the Single-Exchange Approximation in Third-Order Symmetry-Adapted Perturbation Theory. The Journal of Physical Chemistry A 116:11, pages 3042-3047.
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Piotr De Silva & Jacek Korchowiec. (2010) Energy partitioning scheme based on self‐consistent method for subsystems: Populational space approach. Journal of Computational Chemistry 32:6, pages 1054-1064.
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Konrad Patkowski, Krzysztof Szalewicz & Bogumil Jeziorski. (2010) Orbital relaxation and the third-order induction energy in symmetry-adapted perturbation theory. Theoretical Chemistry Accounts 127:3, pages 211-221.
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Łukasz Rajchel, Piotr S. Żuchowski, Małgorzata M. Szczęśniak & Grzegorz Chałasiński. (2010) Derivation of the supermolecular interaction energy from the monomer densities in the density functional theory. Chemical Physics Letters 486:4-6, pages 160-165.
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Łukasz Rajchel, Piotr S. Żuchowski, Michał Hapka, Marcin Modrzejewski, Małgorzata M. Szczęśniak & Grzegorz Chałasiński. (2010) A density functional theory approach to noncovalent interactions via interacting monomer densities. Physical Chemistry Chemical Physics 12:44, pages 14686.
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Jacek Korchowiec, Beata Korchowiec, Waldemar Priebe & Ewa Rogalska. (2008) DFT Study on the Selectivity of Complexation of Metal Cations with a Dioxadithia Crown Ether Ligand. The Journal of Physical Chemistry A 112:51, pages 13633-13640.
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Tatiana Korona. (2007) On the role of higher-order correlation effects on the induction interactions between closed-shell molecules. Physical Chemistry Chemical Physics 9:45, pages 6004.
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Robert Moszynski. 2007. Molecular Materials with Specific Interactions – Modeling and Design. Molecular Materials with Specific Interactions – Modeling and Design 1 152 .
Konrad Patkowski, Krzysztof Szalewicz & Bogumił Jeziorski. (2006) Third-order interactions in symmetry-adapted perturbation theory. The Journal of Chemical Physics 125:15.
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Hua-Jie Song, He-Ming Xiao & Hai-Shan Dong. (2006) Cooperative effects, strengths of hydrogen bonds, and intermolecular interactions in circular cis, trans -cyclotriazane clusters (n=3–8) . The Journal of Chemical Physics 125:7.
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Hua-Jie Song, He-Ming Xiao, Hai-Shan Dong & Yi-Gang Huang. (2006) Intermolecular interactions and nature of cooperative effects in linear cis,cis-cyclotriazane clusters (n=2–8). Journal of Molecular Structure: THEOCHEM 767:1-3, pages 67-73.
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Sule Atahan, Jacek Kłos, Piotr S. Żuchowski & Millard H. Alexander. (2006) An ab initio investigation of the O( 3 P)–H 2 ( 1 Σ+g) van der Waals well . Phys. Chem. Chem. Phys. 8:38, pages 4420-4426.
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Hua‐Jie Song, He‐Ming Xiao, Hai‐Shan Dong, Yi‐Gang Huang, Xin‐Ping Long & Yei‐Peng Tang. (2010) Ab initio calculation of intermolecular dispersion energy and induction energy of nitramide dimer . Chinese Journal of Chemistry 22:11, pages 1377-1381.
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Thierry Visentin, Elise Kochanski, Robert Moszynski & Alain Dedieu. (2001) Interaction of Dichloromethane with Palladium Complexes: A Comparative Symmetry-Adapted Perturbation Theory, Supermolecule, and Self-Consistent Reaction Field Study. The Journal of Physical Chemistry A 105:10, pages 2031-2038.
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J. Grembecka, W. A. Sokalski & P. Kafarski. (2001) Quantum chemical analysis of the interactions of transition state analogs with leucine aminopeptidase. International Journal of Quantum Chemistry 84:2, pages 302-310.
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J. Grembecka, P. Kȩdzierski, W. A. Sokalski & J. Leszczyński. (2001) Electrostatic models of inhibitory activity. International Journal of Quantum Chemistry 83:3-4, pages 180-192.
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Jacek Korchowiec & Tadafumi Uchimaru. (2000) New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: Application to water dimer system. The Journal of Chemical Physics 112:4, pages 1623-1633.
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J. Grembecka, P. Kędzierski & W.A. Sokalski. (1999) Non-empirical analysis of the nature of the inhibitor–active-site interactions in leucine aminopeptidase. Chemical Physics Letters 313:1-2, pages 385-392.
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W.A. Sokalski, P. Kędzierski, J. Grembecka, P. Dziekoński & K. Strasburger. 1999. Computational Molecular Biology. Computational Molecular Biology 369 396 .
Bogumil Jeziorski & Krzysztof Szalewicz. 1998. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Robert Moszynski, Paul E. S. Wormer, Tino G. A. Heijmen & Ad van der Avoird. (1998) Symmetry-adapted perturbation theory of nonadditive three-body interactions in van der Waals molecules. II. Application to the Ar2–HF interaction. The Journal of Chemical Physics 108:2, pages 579-589.
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Tino G. A. Heijmen, Robert Moszynski, Paul E. S. Wormer & Ad van der Avoird. (1997) A new He–CO interaction energy surface with vibrational coordinate dependence. I. Ab initio potential and infrared spectrum . The Journal of Chemical Physics 107:23, pages 9921-9928.
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Tino G. A. Heijmen, Tatiana Korona, Robert Moszynski, Paul E. S. Wormer & Ad van der Avoird. (1997) Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar–CH4 complex . The Journal of Chemical Physics 107:3, pages 902-913.
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Robert Moszynski, Tatiana Korona, Paul E. S. Wormer & Ad van der Avoird. (1997) Ab Initio Potential Energy Surface and Infrared Spectrum of the Ne−CO Complex . The Journal of Physical Chemistry A 101:26, pages 4690-4698.
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Robert Moszynski, Tino G. A. Heijmen, Paul E. S. Wormer & Ad van der Avoird. (1996) Ab initio collision-induced polarizability, polarized and depolarized Raman spectra, and second dielectric virial coefficient of the helium diatom . The Journal of Chemical Physics 104:18, pages 6997-7007.
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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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Victor F. Lotrich, Hayes L. Williams, Krzysztof Szalewicz, Bogumil Jeziorski, Robert Moszynski, Paul E. S. Wormer & Ad van der Avoird. (1995) Intermolecular potential and rovibrational levels of Ar–HF from symmetry-adapted perturbation theory. The Journal of Chemical Physics 103:14, pages 6076-6092.
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Hayes L. Williams, Krzysztof Szalewicz, Robert Moszynski & Bogumil/ Jeziorski. (1995) Dispersion energy in the coupled pair approximation with noniterative inclusion of single and triple excitations. The Journal of Chemical Physics 103:11, pages 4586-4599.
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Robert Moszynski, Tatiana Korona, Paul E. S. Wormer & Ad van der Avoird. (1995) Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex . The Journal of Chemical Physics 103:1, pages 321-332.
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Robert Moszynski, Paul E. S. Wormer & Ad van der Avoird. (1995) Ab   initio potential energy surface and near-infrared spectrum of the He–C2H2 complex . The Journal of Chemical Physics 102:21, pages 8385-8397.
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Robert Moszynski, Bogumil/ Jeziorski, Geerd H. F. Diercksen & Larry A. Viehland. (1994) Symmetry-adapted perturbation theory potential for the HeK+ molecular ion and transport coefficients of potassium ions in helium. The Journal of Chemical Physics 101:6, pages 4697-4707.
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Robert Moszyński, Sl/awomir M. Cybulski & Grzegorz Chal/asiński. (1994) Many-body theory of intermolecular induction interactions. The Journal of Chemical Physics 100:7, pages 4998-5010.
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Tatiana Cwiok, Bogumil Jeziorski, Wlodzimierz Kolos, Robert Moszynski & Krzysztof Szalewicz. (1994) Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes. Journal of Molecular Structure: THEOCHEM 307, pages 135-151.
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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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Krzysztof Pecul. (2004) Decomposition and interpretation of the SCF interaction and deformation energies by the modified Pauli Blockade method . International Journal of Quantum Chemistry 47:2, pages 145-153.
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M. M. Szczȩśniak, G. Chal/asiński, S. M. Cybulski & P. Cieplak. (1993) Ab   initio study of the potential energy surface of CH4-H2O . The Journal of Chemical Physics 98:4, pages 3078-3089.
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Hayes L. Williams, Krzysztof Szalewicz, Bogumil Jeziorski, Robert Moszynski & Stanislaw Rybak. (1993) Symmetry-adapted perturbation theory calculation of the Ar–H2 intermolecular potential energy surface. The Journal of Chemical Physics 98:2, pages 1279-1292.
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Robert Moszynski, Bogumił Jeziorski & Krzysztof Szalewicz. (2004) Møller–Plesset expansion of the dispersion energy in the ring approximation. International Journal of Quantum Chemistry 45:5, pages 409-431.
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Sl/awomir M. Cybulski. (1992) Convergence properties of coupled Hartree–Fock theory of intermolecular interactions. The Journal of Chemical Physics 97:10, pages 7545-7554.
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Robert Moszynski, Bogumił Jeziorski & Krzysztof Szalewicz. (1992) Many-body symmetry-adapted perturbation theory study of the He⋯F− interaction. Chemical Physics 166:3, pages 329-339.
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M.M. Szczȩśniak & G. Chałasiński. (1992) Ab initio calculations of nonadditive effects. Journal of Molecular Structure: THEOCHEM 261, pages 37-54.
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J�nos G. �ngy�n. (1992) Common theoretical framework for quantum chemical solvent effect theories. Journal of Mathematical Chemistry 10:1, pages 93-137.
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Zdzisław Latajka. (1991) Basis sets for molecular interactions. Journal of Molecular Structure: THEOCHEM 251, pages 245-260.
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Stanisl/aw Rybak, Bogumil/ Jeziorski & Krzysztof Szalewicz. (1991) Many-body symmetry-adapted perturbation theory of intermolecular interactions. H2O and HF dimers. The Journal of Chemical Physics 95:9, pages 6576-6601.
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Vladimir Kellö & Andrzej J. Sadlej. (1991) Interaction potentials in rare gas-halide ion systems. Chemical Physics 157:1-2, pages 123-133.
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Mal/gorzata M. Szczȩśniak, Rick A. Kendall & Grzegorz Chal/asiński. (1991) A b   i n i t i o study of the nonadditive effects in the trimer of ammonia . The Journal of Chemical Physics 95:7, pages 5169-5178.
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A. J. Grant & B. T. Pickup. (2004) SCF theory of molecular interactions. International Journal of Quantum Chemistry 40:1, pages 97-126.
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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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G. Chal/asiński, S. M. Cybulski, M. M. Szczȩśniak & S. Scheiner. (1989) Analysis of the potential energy surface of Ar–NH3. The Journal of Chemical Physics 91:12, pages 7809-7817.
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G. Chal/asiński, S. M. Cybulski, M. M. Szcze̢śniak & S. Scheiner. (1989) Nonadditive effects in HF and HCl trimers. The Journal of Chemical Physics 91:11, pages 7048-7056.
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B. Jeziorski, R. Moszynski, S. Rybak & K. Szalewicz. 1989. Many-Body Methods in Quantum Chemistry. Many-Body Methods in Quantum Chemistry 65 94 .
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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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Michał Jaszuński. (1987) Perturbation theory of pair polarizabilities. Chemical Physics Letters 135:6, pages 565-570.
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Ivan Cernusak, Geerd H.F. Diercksen & Andrzej J. Sadlej. (1986) Multipole polarizabilities of Ar. Chemical Physics Letters 128:1, pages 18-24.
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Geerd H.F. Diercksen, Vladimir Kellö & Andrzej J. Sadlej. (1986) MBPT studies of van der Waals molecules. III. The reliability of apparently accurate calculations for the magnesium dimer. Chemical Physics 103:1, pages 55-74.
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M. M. Szczȩśniak & Steve Scheiner. (1984) Studies of dispersion energy in hydrogen-bonded systems. H2O–HOH, H2O–HF, H3N–HF, HF–HF. The Journal of Chemical Physics 80:4, pages 1535-1542.
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