Ab initio calculations of intermolecular
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F. J. Olivares Del Valle; S. Tolosa; A. Lopez Piñeiro; A. Requena
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Article
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1985
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John Wiley and Sons
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English
⚖ 492 KB
Hartree-Fock computations of the potential surface of Ar-H, have been carried out and supplemented with calculations of the dispersion energy, with use of the counterpoise method to remove the basis set superposition error. The collinear and perpendicular bisector geometries are considered. The resu