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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 38, 1979 - Issue 5
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Original Articles

Ab initio valence bond calculation of intermolecular forces using a non-orthogonal basis set: HeHe and HeLi systems

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Pages 1555-1565 | Received 20 Feb 1979, Published online: 23 Aug 2006

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Read on this site (9)

J.H. Van Lenthe & F. Dijkstra. (1999) The interacting correlated fragments method with non-orthogonal orbitals. Molecular Physics 96:4, pages 555-558.
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ManuelA. Matías, Mario Raimondi, Elena Tornaghi, DavidL. Cooper & Joseph Gerratt. (1994) Spin coupled valence bond theory of van der Waals systems: application to LiH … He. Molecular Physics 83:1, pages 89-100.
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Valerio Magnasco & Giuseppe Figari. (1986) Epstein-Nesbet calculation of interatomic interactions in the van der Waals region. Molecular Physics 59:4, pages 689-705.
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U.E. Senff & P.G. Burton. (1986) A CEPA2 investigation of the He-He and He-Li+ potential functions. Molecular Physics 58:3, pages 637-645.
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Hiroshi Tatewaki, Kiyoshi Tanaka, Yuichi Ohno & Takashi Nakamura. (1984) The interaction potentials for He-He and He-Li+ . Molecular Physics 53:1, pages 233-240.
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Mario Raimondi. (1984) Valence body study of the potential energy surface for the system He … HF. Molecular Physics 53:1, pages 161-182.
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J.R. Collins & G.A. Gallup. (1983) Contributions to interatomic and intermolecular forces. Molecular Physics 49:4, pages 871-879.
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A.J.C. Varandas & J. Brandão. (1982) A simple semi-empirical approach to the intermolecular potential of van der Waals systems. Molecular Physics 45:4, pages 857-875.
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J. Gerratt & M. Papadopoulos. (1980) Direct calculation of intermolecular potential energy surfaces. Molecular Physics 41:5, pages 1071-1080.
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Articles from other publishers (21)

Ioannis S. K. Kerkines & Aristides Mavridis. (2002) Theoretical investigation of the X  Σ+2,  A  Π2, and B  Σ+2 states of LiAr and LiKr . The Journal of Chemical Physics 116:21, pages 9305-9314.
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Wei Wu, Anan Wu, Yirong Mo, Menghai Lin & Qianer Zhang. (1998) Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions. International Journal of Quantum Chemistry 67:5, pages 287-297.
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E. Czuchaj, F. Rebentrost, H. Stoll & H. Preuss. (1995) Pseudopotential calculations for the potential energies of LiHe and BaHe. Chemical Physics 196:1-2, pages 37-46.
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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.
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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.
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P.O. Löwdin. (1991) On the historical development of the valence bond method and the non-orthogonality problem. Journal of Molecular Structure: THEOCHEM 229, pages 1-14.
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Włodzimierz Kołos. 1989. Perspectives in Quantum Chemistry. Perspectives in Quantum Chemistry 145 159 .
Katherine Valenta Darvesh & Friedrich Grein. (1988) Configuration selection in the MC SCF method. The van der Waals X2Σ+ state of LiHe. Chemical Physics Letters 147:1, pages 105-110.
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M Jungen & V Staemmler. (1988) Potential energy curves for the Rydberg states of LiHe and the spectrum of Li atoms interacting with He gas. Journal of Physics B: Atomic, Molecular and Optical Physics 21:3, pages 463-484.
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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 .
D. L. Cooper, J. Gerratt & M. Raimondi. 1987. Advances in Chemical Physics. Advances in Chemical Physics 319 397 .
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.
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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.
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G.A. Gallup & J. Gerratt. (1985) The systematic cancellation of errors in a variation-perturbation approach to the calculation of intermolecular potentials. Chemical Physics Letters 117:6, pages 589-591.
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S. C. Leasure & G. G. Balint-Kurti. (1985) Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants. Physical Review A 31:4, pages 2107-2113.
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M. Raimondi, M. Simonetta & G.F. Tantardini. (1985) AB initio valence bond theory. Computer Physics Reports 2:4, pages 171-216.
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G.A. Gallup & J. Gerratt. (1984) The C6 coefficients for NeHF. Improved polarizabilities and dispersion coefficients by a simple level-shifting technique. Chemical Physics Letters 112:3, pages 228-232.
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Pavel Hobza, Rudolf Zahradník & Janos Ladik. (2004) Origin of high efficiency and specificity of biochemical reactions. International Journal of Quantum Chemistry 26:5, pages 857-872.
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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.
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J. H. van Lenthe & G. G. Balint‐Kurti. (1983) The valence‐bond self‐consistent field method (VB–SCF): Theory and test calculations. The Journal of Chemical Physics 78:9, pages 5699-5713.
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Massimo Simonetta, Mario Raimondi & Gian Franco Tantardini. (2009) New problems for ab-initio valence bond theory. International Journal of Quantum Chemistry 20:S15, pages 225-229.
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