Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 30, 1975 - Issue 1
Submit an article Journal homepage
22
Views
45
CrossRef citations to date
0
Altmetric
Original Articles

Perturbation calculations of rare-gas potentials near the van der Waals minimum

J.N. Murrell School of Molecular Sciences, University of Sussex, Brighton, BN1 9QJ
&
A.J.C. Varandas School of Molecular Sciences, University of Sussex, Brighton, BN1 9QJ
Pages 223-236 | Received 14 Jan 1975, Published online: 23 Aug 2006

Citations (45)

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

Subscribe to citation updates

Read on this site (13)

JAN H JENSEN MARK S GORDON. (1996) An approximate formula for the intermolecular Pauli repulsion between closed shell molecules. Molecular Physics 89:5, pages 1313-1325.
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
Grzegorz Chałasiński. (1986) Intramolecular correlation correction to the first-order interaction energy between H2 molecules and its influence on the H2-H2 potential surface. Molecular Physics 57:2, pages 427-439.
Read now
Grzegorz Chałasiński & Maciej Gutowski. (1985) Dimer centred basis set in the calculations of the first-order interaction energy with CI wavefunction. Molecular Physics 54:5, pages 1173-1184.
Read now
I.C. Hayes & A.J. Stone. (1984) An intermolecular perturbation theory for the region of moderate overlap. Molecular Physics 53:1, pages 83-105.
Read now
J.T. Brobjer & J.N. Murrell. (1983) The intermolecular potential of HF. Molecular Physics 50:5, pages 885-899.
Read now
J.R. Collins & G.A. Gallup. (1983) Contributions to interatomic and intermolecular forces. Molecular Physics 49:4, pages 871-879.
Read now
Grzegorz Chałasiński. (1983) Perturbation calculations of the interaction energy between closed-shell Hartree-Fock atoms. Molecular Physics 49:6, pages 1353-1373.
Read now
A.T. Amos & C.S. van den Berghe. (1982) A variational principle for the Heitler-London intermolecular interaction energy. Molecular Physics 47:4, pages 897-911.
Read now
Grzegorz Chałasiński, Sander van Smaalen & FransB. van Duijneveldt. (1982) Ab initio calculations of exchange repulsion between two Ar atoms. Molecular Physics 45:6, pages 1271-1278.
Read now
C.P. Wood & N.C. Pyper. (1981) Electron gas predictions of interatomic potentials tested by ab initio calculations. Molecular Physics 43:6, pages 1371-1383.
Read now
Krzysztof Szalewicz & Bogumil Jeziorski. (1979) Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions. Molecular Physics 38:1, pages 191-208.
Read now
S. Carter & J.N. Murrell. (1976) A re-examination of the induction (crystal field) energy contribution to the relative stabilities of the f.c.c. and h.c.p. rare-gas crystal structures. Molecular Physics 32:5, pages 1269-1277.
Read now

Articles from other publishers (32)

António J.C. Varandas. (2018) Straightening the Hierarchical Staircase for Basis Set Extrapolations: A Low-Cost Approach to High-Accuracy Computational Chemistry. Annual Review of Physical Chemistry 69:1, pages 177-203.
Crossref
António J. C. Varandas. (2013) Odd‐hydrogen: An account on electronic structure, kinetics, and role of water in mediating reactions with atmospheric ozone. Just a catalyst or far beyond?. International Journal of Quantum Chemistry 114:20, pages 1327-1349.
Crossref
Luís P. Viegas & António J. C. Varandas. (2013) Coupled‐cluster reaction barriers of : An application of the coupled‐cluster//Kohn–Sham density functional theory model chemistry. Journal of Computational Chemistry 35:7, pages 507-517.
Crossref
A. J. C. Varandas. (2014) Is HO 3 − multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion . Phys. Chem. Chem. Phys. 16:32, pages 16997-17007.
Crossref
A. J. C. Varandas. (2013) Accurate Determination of the Reaction Course in HY 2 ⇌ Y + YH (Y = O, S): Detailed Analysis of the Covalent- to Hydrogen-Bonding Transition . The Journal of Physical Chemistry A 117:32, pages 7393-7407.
Crossref
István Mayer. (2008) Some Formal Aspects of the Theory of Intermolecular Interactions and of the BSSE Problem. Collection of Czechoslovak Chemical Communications 73:11, pages 1391-1414.
Crossref
Edyta Małolepsza & Lucjan Piela. (2003) Pauli Hardness Study of the Methane, Ammonia, Water and Hydrogen Fluoride Molecules. The Journal of Physical Chemistry A 107:27, pages 5356-5360.
Crossref
Edyta Małolepsza & Lucjan Piela. (2003) Hardness and HOMO-LUMO Gap Probed by the Helium Atom Pushing the Molecular Surface of the First-Row Hydride Molecules. Collection of Czechoslovak Chemical Communications 68:12, pages 2344-2354.
Crossref
K. Budde, J. Schimmelpfennig, M. Eichmann, W. Ernst & H. Pfnür. (2001) Kr and Xe on NaCl(100): pure phases and their miscibility. Surface Science 473:1-2, pages 71-85.
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
Carol A. Parish & Clifford E. Dykstra. (1994) Three-body analytical potential for interacting helium atoms. The Journal of Chemical Physics 101:9, pages 7618-7624.
Crossref
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.
Crossref
Carol A. Parish & Clifford E. Dykstra. (1993) Pairwise and many-body contributions to interaction potentials in He n clusters . The Journal of Chemical Physics 98:1, pages 437-443.
Crossref
A. J. Grant & B. T. Pickup. (2004) SCF theory of molecular interactions. International Journal of Quantum Chemistry 40:1, pages 97-126.
Crossref
Valerio Magnasco & Roy McWeeny. 1991. Theoretical Treatment of Large Molecules and Their Interactions. Theoretical Treatment of Large Molecules and Their Interactions 133 169 .
Valerio Magnasco & Roy McWeeny. 1991. Theoretical Models of Chemical Bonding. Theoretical Models of Chemical Bonding 133 169 .
Valerio Magnasco, Giuseppe Figari & Camilla Costa. (1990) On the penetration energy of slightly overlapping closed-shell molecules. Chemical Physics Letters 168:1, pages 84-90.
Crossref
F.J.Olivares del Valle, S. Tolosa, E.A. Ojalvo & J. Espinosa. (1988) A proposal for avoiding overestimation in the counterpoise basis set superposition error. Application to diatomic van der Waals systems. Chemical Physics 127:1-3, pages 343-350.
Crossref
A. J. C. Varandas. 1988. Advances in Chemical Physics. Advances in Chemical Physics 255 338 .
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.
Crossref
A.J.C. Varandas. (1985) A general approach to the potential energy functions of small polyatomic systems: Molecules and van der Waals molecules. Journal of Molecular Structure: THEOCHEM 120, pages 401-424.
Crossref
Maciej Gutowski, Grzegorz Chałasiǹski & Jeanne Van Duijneveldt‐Van De Rijdt. (2004) Effective basis sets for calculations of exchange‐repulsion energy. International Journal of Quantum Chemistry 26:6, pages 971-982.
Crossref
Evgenii E. Nikitin & Stanislav Ya. UmanskiiEvgenii E. Nikitin & Stanislav Ya. Umanskii. 1984. Theory of Slow Atomic Collisions. Theory of Slow Atomic Collisions 103 166 .
Kazunari Suzuki & Kaoru Iguchi. (1982) Ab initio intermolecular potential of the ethylene dimer . The Journal of Chemical Physics 77:9, pages 4594-4603.
Crossref
Pierre Claverie. 1982. Quantum Theory of Chemical Reactions. Quantum Theory of Chemical Reactions 151 175 .
P. Malinowski, A.C. Tanner, K.F. Lee & B. Linder. (1981) Van der Waals forces, scattering functions and charge density susceptibility. II. Application to the HeHe interaction potential. Chemical Physics 62:3, pages 423-438.
Crossref
E⋖b́ieta Radzio-Andzelm. (1981) Investigation of intermolecular interactions between inert-gas atoms by means of the modified statistical method. Chemical Physics Letters 84:1, pages 64-67.
Crossref
Hee Cheon Lee & Yung Sik Kim. (1981) Simple size-dependent combining rule for closed-shell repulsive interactions. The Journal of Chemical Physics 74:11, pages 6144-6147.
Crossref
A.J.C. Varandas. (1980) Zeroth-order exchange energy as a criterion for optimized atomic basis sets in interatomic force calculations. Application to He2. Chemical Physics Letters 69:2, pages 222-224.
Crossref
Marek Bulski, Grzegorz Chałasiński & Bogumił Jeziorski. (1979) Many-orbital cluster expansion for the exchange-repulsion energy in the interaction of closed-shell systems. Theoretica Chimica Acta 52:2, pages 93-101.
Crossref
Grzegorz Chałasiński & Bogumił Jeziorski. (1977) Exchange polarization effects in the interaction of closed-shell systems. Theoretica Chimica Acta 46:4, pages 277-290.
Crossref
R. Ahlrichs, R. Penco & G. Scoles. (1977) Intermolecular forces in simple systems. Chemical Physics 19:2, pages 119-130.
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:

Order Reprints Request Corporate Permissions

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:

Request Academic Permissions

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.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.