Accurate electron affinities of several
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Juan J. Novoa; Fernando Mota
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Article
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1986
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Elsevier Science
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English
⚖ 277 KB
The electron affinity of several diatomic and triatomic molecules is computed with an error of less than 0.1 eV usmg the second-order Msller-Plesset method and a 6-311+ G(2d,2p) basis set. The importance of the zero-point energy correction is tested and a comparison with the results obtained with ot