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- W2019018514 abstract "Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies and lattice constants are in excellent agreement with experiment for AgCl; for AuCl we find good agreement, and the experimental structure is correctly predicted to be lower in energy than the cubic one. Electron-correlation effects on lattice constants are very large, of up to 0.8 AA for cubic AuCl. We especially discuss the strength of the closed-shell interactions, and for the first time a quantitative analysis of the so-called aurophilic Au(I)-Au(I) interaction is presented in solids." @default.
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- W2019018514 date "1998-08-08" @default.
- W2019018514 modified "2023-09-26" @default.
- W2019018514 title "Closed-shell interaction in silver and gold chlorides" @default.
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- W2019018514 doi "https://doi.org/10.1063/1.476801" @default.
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