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- W55804377 abstract "The self-consistent-field (SCF) approach and density functional theory, using the B3LYP hybrid functional, yield three low-lying structures for Li7−. The relative separations differ for the SCF and B3LYP approaches, however the B3LYP results are in good agreement with the coupled cluster results. For K7−, only an octahedron with one face capped is found to be a minimum; this is the second most stable structure for Li7−. A comparison of the computed separations between the low-lying states of Li7 and the photoelectron detachment spectra does not allow an unambiguous assignment of the structure of K7−." @default.
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- W55804377 date "1996-05-01" @default.
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- W55804377 title "The structure of Li7− and K7−" @default.
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- W55804377 doi "https://doi.org/10.1016/0301-0104(96)00019-5" @default.
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