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- W2085182854 abstract "Optimum bond function parameters of ξ1s = 1.12 and ξ2p = 0.70 placed at 0.44 of the bond distance from the oxygen atom are reported for the CO molecule. Using these parameters, the total ground-state energy is lower than that obtained by Neumann and Moskowitz using two sets of 3d type polarization functions on each atomic center with exponents of 0.5 and 1.5. The one-electron properties, however, are slightly inferior to those calculated using the 3d functions." @default.
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- W2085182854 date "1974-02-01" @default.
- W2085182854 modified "2023-10-05" @default.
- W2085182854 title "Optimized gaussian bond functions for CO" @default.
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- W2085182854 doi "https://doi.org/10.1016/0009-2614(74)85273-5" @default.
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