Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 50, 1983 - Issue 6
21
Views
77
CrossRef citations to date
0
Altmetric
Original Articles

The long range model of intermolecular forces

An SCF study of NeHF

&
Pages 1349-1361 | Received 20 Jun 1983, Accepted 19 Jul 1983, Published online: 23 Aug 2006

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (8)

. (1996) Amyand David Buckingham. Molecular Physics 87:4, pages 711-724.
Read now
K. Woliński, A.J. Sadlej & G. Karlström. (1991) Molecular quadrupole moments. Molecular Physics 72:2, pages 425-432.
Read now
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.
Read now
A.D. Buckingham, P.W. Fowler & A.J. Stone. (1986) Electrostatic predictions of shapes and properties of Van der Waals molecules. International Reviews in Physical Chemistry 5:2-3, pages 107-114.
Read now
Dage Sundholm, Pekka Pyykkö & Leif Laaksonen. (1985) Two-dimensional, fully numerical molecular calculations. Molecular Physics 56:6, pages 1411-1418.
Read now
Mario Raimondi. (1984) Valence body study of the potential energy surface for the system He … HF. Molecular Physics 53:1, pages 161-182.
Read now

Articles from other publishers (69)

Frank Weinhold. (2022) High-Density “Windowpane” Coordination Patterns of Water Clusters and Their NBO/NRT Characterization. Molecules 27:13, pages 4218.
Crossref
Omar DemerdashEng-Hui YapTeresa Head-Gordon. (2014) Advanced Potential Energy Surfaces for Condensed Phase Simulation. Annual Review of Physical Chemistry 65:1, pages 149-174.
Crossref
Pengyu Ren, Jaehun Chun, Dennis G. Thomas, Michael J. Schnieders, Marcelo Marucho, Jiajing Zhang & Nathan A. Baker. (2012) Biomolecular electrostatics and solvation: a computational perspective. Quarterly Reviews of Biophysics 45:4, pages 427-491.
Crossref
A. Martín Pendás, M. A. Blanco & E. Francisco. (2006) The nature of the hydrogen bond: A synthesis from the interacting quantum atoms picture. The Journal of Chemical Physics 125:18.
Crossref
Eudes E. Fileti, Kaline Coutinho, Thaciana Malaspina & Sylvio Canuto. (2003) Electronic changes due to thermal disorder of hydrogen bonds in liquids: Pyridine in an aqueous environment. Physical Review E 67:6.
Crossref
Arjan van der Vaart & Kenneth M. MerzJr.Jr.. (2002) Charge transfer in small hydrogen bonded clusters. The Journal of Chemical Physics 116:17, pages 7380-7388.
Crossref
Hua Zhu, Daiqian Xie & Guosen Yan. (2002) Ab initio potential energy surface and rovibrational spectra of Ne–N2O. Chemical Physics Letters 351:1-2, pages 149-157.
Crossref
Ágnes Vibók, Gábor J. Halász & István Mayer. 2003. Electron Correlations and Materials Properties 2. Electron Correlations and Materials Properties 2 263 283 .
P. L. A. Popelier, L. Joubert & D. S. Kosov. (2001) Convergence of the Electrostatic Interaction Based on Topological Atoms. The Journal of Physical Chemistry A 105:35, pages 8254-8261.
Crossref
George Maroulis. (2000) Computational Aspects of Interaction Hyperpolarizability Calculations. A Study on H 2 ···H 2 , Ne···HF, Ne···FH, He···He, Ne···Ne, Ar···Ar, and Kr···Kr . The Journal of Physical Chemistry A 104:20, pages 4772-4779.
Crossref
Michele CeottoFranco A. GianturcoDavid M. Hirst. (1999) Protonated Ozone:  Structure, Energetics, and Nonadiabatic Effects. The Journal of Physical Chemistry A 103:48, pages 9984-9994.
Crossref
G. J. Hal�sz, �. Vib�k & I. Mayer. (1999) Comparison of basis set superposition error corrected perturbation theories for calculating intermolecular interaction energies. Journal of Computational Chemistry 20:2, pages 274-283.
Crossref
A. D. Buckingham. 1999. Crystal Engineering The Design and Application of Functional Solids. Crystal Engineering The Design and Application of Functional Solids 49 68 .
Maria S. Topaler, Donald G. Truhlar, Xiao Yan Chang, Piotr Piecuch & John C. Polanyi. (1998) Potential energy surfaces of NaFH. The Journal of Chemical Physics 108:13, pages 5349-5377.
Crossref
I. Mayer. (1998) The chemical Hamiltonian approach for treating the BSSE problem of intermolecular interactions. International Journal of Quantum Chemistry 70:1, pages 41-63.
Crossref
S C Read, A D May & G D Sheldon. (1997) The Kerr effect in He, Ne, H 2 , and N 2 at room temperature . Canadian Journal of Physics 75:4, pages 211-229.
Crossref
A.D. BUCKINGHAM & P.W. FOWLER. 1997. Optical, Electric and Magnetic Properties of Molecules. Optical, Electric and Magnetic Properties of Molecules 199 206 .
J. Tomasi, B. Mennucci & R. Cammi. 1996. Molecular Electrostatic Potentials - Concepts and Applications. Molecular Electrostatic Potentials - Concepts and Applications 1 103 .
K. L. C. Hunt & X. Li. 1995. Collision- and Interaction-Induced Spectroscopy. Collision- and Interaction-Induced Spectroscopy 61 76 .
B. Kukawska-Tarnawska, G. Chal/asiński & K. Olszewski. (1994) Structure and energetics of van der Waals complexes of carbon monoxide with rare gases. He–CO and Ar–CO. The Journal of Chemical Physics 101:6, pages 4964-4974.
Crossref
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.
Crossref
Ernest R. Davidson & Subhas J. Chakravorty. (1994) A possible definition of basis set superposition error. Chemical Physics Letters 217:1-2, pages 48-54.
Crossref
Anthony J. Stone. (1993) Computation of charge-transfer energies by perturbation theory. Chemical Physics Letters 211:1, pages 101-109.
Crossref
José Antonio Mejías Romero & Javier Fernández Sanz. (1993) Ab   initio group model potentials: Application to the study of intermolecular interactions . The Journal of Chemical Physics 99:2, pages 1255-1261.
Crossref
A. D. Buckingham. 1993. Principles of Molecular Recognition. Principles of Molecular Recognition 1 16 .
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.
Crossref
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.
Crossref
Sławomir M. Cybulski & Grzegorz Chałasiński. (1992) Perturbation analysis of the supermolecule interaction energy and the basis set superposition error. Chemical Physics Letters 197:6, pages 591-598.
Crossref
Luc Lapierre, Donald Frye & Hai-Lung Dai. (1992) Isomeric structures and van der Waals vibrational frequencies of the glyoxal⋅Ar complexes. I. Fluorescence excitation spectroscopy. The Journal of Chemical Physics 96:4, pages 2703-2716.
Crossref
A. D. Buckingham. 1992. Molecular Liquids: New Perspectives in Physics and Chemistry. Molecular Liquids: New Perspectives in Physics and Chemistry 121 145 .
Steve Scheiner. 1991. Theoretical Treatment of Large Molecules and Their Interactions. Theoretical Treatment of Large Molecules and Their Interactions 171 227 .
Steve Scheiner. 1991. Theoretical Models of Chemical Bonding. Theoretical Models of Chemical Bonding 171 227 .
Steve Scheiner. 1991. Reviews in Computational Chemistry. Reviews in Computational Chemistry 165 218 .
D.B. Chesnut & C.G. Phung. (1990) Functional counterpoise corections for the NMR chemical shift in a model dimeric water system. Chemical Physics 147:1, pages 91-97.
Crossref
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.
Crossref
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.
Crossref
Zdzisław Latajka & Steve Scheiner. (1989) Dissection of basis set superposition error at SCF and correlated levels: HF dimer. Journal of Molecular Structure: THEOCHEM 199, pages 9-22.
Crossref
S. V. ONeil, D. J. Nesbitt, P. Rosmus, H.-J. Werner & D. C. Clary. (1989) Weakly bound NeHF. The Journal of Chemical Physics 91:2, pages 711-721.
Crossref
David C. Clary & David J. Nesbitt. (1989) Calculation of vibration–rotation spectra for rare gas–HCl complexes. The Journal of Chemical Physics 90:12, pages 7000-7013.
Crossref
J. A. Sordo, T. L. Sordo, G. M. Fernández, R. Gomperts, S. Chin & E. Clementi. (1989) A systematic study on the basis set superposition error in the calculation of interaction energies of systems of biological interest. The Journal of Chemical Physics 90:11, pages 6361-6370.
Crossref
David J. Nesbitt, Mark S. Child & David C. Clary. (1989) Rydberg–Klein–Rees inversion of high resolution van der Waals infrared spectra: An intermolecular potential energy surface for Ar+HF ( v =1) . The Journal of Chemical Physics 90:9, pages 4855-4864.
Crossref
Valerio Magnasco, Camilla Costa & Giuseppe Figari. (1989) Long-range second-order interactions and the shape of the He-HF and Ne-HF complexes. Chemical Physics Letters 156:6, pages 585-591.
Crossref
D. C. Clary. 1989. Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules. Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules 295 325 .
David C. Clary, Christopher M. Lovejoy, S. V. ONeil & David J. Nesbitt. (1988) Infrared Spectrum of NeHF. Physical Review Letters 61:14, pages 1576-1579.
Crossref
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.
Crossref
Valerio Magnasco, Camilla Costa & Giuseppe Figari. (1988) Electrostatic interactions and the shape of van der Waals dimers. Journal of Molecular Structure: THEOCHEM 169, pages 105-117.
Crossref
J. E. Bohr & K. L. C. Hunt. (1987) Dipoles induced by long-range interactions between centrosymmetric linear molecules: Theory and numerical results for H2⋅⋅⋅H2, H2⋅⋅⋅N2, and N2⋅⋅⋅N2. The Journal of Chemical Physics 87:7, pages 3821-3832.
Crossref
M.O. Bulanin, V.P. Bulychev & K.G. Tokhadze. (1987) Dipole moment functions of van der waals complexes of HF and HCl with rare gas atoms. Journal of Molecular Structure 161, pages 321-332.
Crossref
Zdzisz.xl;law Latajka & Steve Scheiner. (1987) Three-dimensional spatial characteristics of primary and secondary basis set superposition error. Chemical Physics Letters 140:4, pages 338-344.
Crossref
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.
Crossref
Zdzisl/aw Latajka & Steve Scheiner. (1987) Primary and secondary basis set superposition error at the SCF and MP2 levels. H3N--Li+ and H2O--Li+. The Journal of Chemical Physics 87:2, pages 1194-1204.
Crossref
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 .
D. L. Cooper, J. Gerratt & M. Raimondi. 1987. Advances in Chemical Physics. Advances in Chemical Physics 319 397 .
S. Murad, K.A. Mansour & J.G. Powles. (1986) A model intermolecular potential for hydrogen fluoride including polarizability. Chemical Physics Letters 131:1-2, pages 98-102.
Crossref
M. Gutowski, F.B. Van Duijneveldt, G. Chałasiński & L. Piela. (1986) Does the boys and bernardi function counterpoise method actually overcorrect the basis set superposition error?. Chemical Physics Letters 129:3, pages 325-328.
Crossref
Ivan Cernusak, Geerd H.F. Diercksen & Andrzej J. Sadlej. (1986) Multipole polarizabilities of Ar. Chemical Physics Letters 128:1, pages 18-24.
Crossref
M. M. Szczȩśniak & Steve Scheiner. (1986) Correction of the basis set superposition error in SCF and MP2 interaction energies. The water dimer. The Journal of Chemical Physics 84:11, pages 6328-6335.
Crossref
Juerg Boesiger & Samuel Leutwyler. (1986) Van der waals vibrations and binding energies of carbazole·Kr. Chemical Physics Letters 126:3-4, pages 238-244.
Crossref
J. Juanós i Timoneda & K. L. C. Hunt. (1986) Label-free exchange perturbation approximation for the collision-induced dipole of He⋅⋅⋅H. The Journal of Chemical Physics 84:7, pages 3954-3962.
Crossref
Ivan Cernusak, Geerd H. F. Diercksen & Andrzej J. Sadlej. (1986) Fourth-order many-body perturbation-theory study of the electron-correlation contribution to polarizabilities of Ne. Physical Review A 33:2, pages 814-823.
Crossref
J.R. Collins & G.A. Gallup. (1986) The full versus the virtual counterpoise correction for basis set superposition error in self-consistent field calculations. Chemical Physics Letters 123:1-2, pages 56-61.
Crossref
K. L. C. Hunt & J. E. Bohr. (1985) Effects of van der Waals interactions on molecular dipole moments: The role of field-induced fluctuation correlations. The Journal of Chemical Physics 83:10, pages 5198-5202.
Crossref
G. A. Gallup & J. Gerratt. (1985) A variation-perturbation method for atomic and molecular interactions. I. Theory. The Journal of Chemical Physics 83:5, pages 2316-2322.
Crossref
G. A. Gallup & J. Gerratt. (1985) A variation-perturbation method for atomic and molecular interactions. II. The interaction potential and van der Waals molecule for Ne–HF. The Journal of Chemical Physics 83:5, pages 2323-2327.
Crossref
M. M. Szczȩśniak & Steve Scheiner. (1985) Contribution of dispersion to the properties of H2S--HF and H2S--HCl. The Journal of Chemical Physics 83:4, pages 1778-1783.
Crossref
Sigeru Huzinaga. (1985) Basis sets for molecular calculations. Computer Physics Reports 2:6, pages 281-339.
Crossref
George Maroulis & David M. Bishop. (1985) On the dipole and higher polarizabilities of Ne(1S). Chemical Physics Letters 114:2, pages 182-186.
Crossref
Katharine L. C. Hunt. 1985. Phenomena Induced by Intermolecular Interactions. Phenomena Induced by Intermolecular Interactions 1 28 .
P. Cremaschi, G. Morosi, M. Raimondi & M. Simonetta. (1984) The HeHe Coulomb and exchange interaction energy. Chemical Physics Letters 109:5, pages 442-445.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.