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• W2023006311 abstract "The first full implementation of the localized configuration interaction technique at the variational CI, CEPA-2 and variational CEPA levels is described. Timings are presented for a double-zeta plus polarization calculation on butadiene. The restriction of the correlation space to local basis functions results in a spectacular enhancement of the efficiency of the CI loop. The loss in the correlation energy is only a few percent; we argue that most of the loss is due to the exclusion of intramolecular basis set superposition artifacts." @default.
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• W2023006311 date "1985-01-01" @default.
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• W2023006311 title "Local configuration interaction: An efficient approach for larger molecules" @default.
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• W2023006311 doi "https://doi.org/10.1016/0009-2614(85)85003-x" @default.
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