Molecular polarisabilities - a compariso
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Sean A.C. McDowell; Roger D. Amos; Nicholas C. Handy
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Article
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1995
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Elsevier Science
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English
β 298 KB
Molecular polarisabilities calculated with density functional theory using both the local density approximation and a gradient corrected functional are contrasted with results obtained using standard ab initio methods. The ab initio methods used are SCE second-order and fourth-order MΒ’ller-Plesset p