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- W2043119666 abstract "A semi-empirical extrapolation technique is suggested for recovering the correlation defect remaining in atomic and molecular properties calculated from highly correlated wavefunctions. These procedures are applied to PNO-CEPA and PNO-IPPA calculations on F, F+, F−, and HF in order to obtain “exact” estimates of the ionization potential, electron affinity, and dissociation energy." @default.
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- W2043119666 date "1976-02-01" @default.
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- W2043119666 title "A semi-empirical extrapolation technique for atomic and molecular properties derived from correlated wavefunctions" @default.
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- W2043119666 doi "https://doi.org/10.1016/0009-2614(76)80276-x" @default.
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