The static dipole polarizabilities of helium and molecular hydrogen by differential diffusion Monte Carlo

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Huiszoon, C. and Briels, W.J. (1993) The static dipole polarizabilities of helium and molecular hydrogen by differential diffusion Monte Carlo. Chemical Physics Letters, 203 (1). pp. 49-54. ISSN 0009-2614

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Abstract:The differential diffusion Monte Carlo method, involving correlated random walks, is used to calculate the static polarizabilities of molecular hydrogen and helium by application of a finite electrostatic field. The results are for molecular hydrogen (alpha)=4.60(3) au; (alpha)|=6.38(5) au; for helium (alpha) = 1.38(1) au. The results agree, within the statistical errors, with those obtained by application of high quality ab initio methods.
Item Type:Article
Copyright:© 1993 Elsevier Science
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Science and Technology (TNW)
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Link to this item:http://purl.utwente.nl/publications/24710
Official URL:http://dx.doi.org/10.1016/0009-2614(93)89309-6
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