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• W2016202830 abstract "Total valence correlation energies of first-row atoms, their anions and cations as well as their homonuclear dimers have been determined in all-electron and [He]-core pseudopotential calculations using the coupled-cluster method and large uncontracted basis sets containing up to g-type functions. The inaccuracies mainly caused by the pseudo-orbital transformation of the 2s valence orbitals are discussed. The relative errors in total valence correlation energies are found to be 6% at most. Correlation contributions to excitation energies, ionization potentials, electron affinities or binding energies are accurate with absolute errors of 0.1 eV or less." @default.
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• W2016202830 date "1996-02-01" @default.
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• W2016202830 title "Valence correlation energies from pseudopotential calculations" @default.
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• W2016202830 doi "https://doi.org/10.1016/0009-2614(95)01457-8" @default.
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