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• W1977221897 endingPage "4848" @default.
• W1977221897 startingPage "4842" @default.
• W1977221897 abstract "High-level quantum-chemical calculations, using the coupled-cluster approach and extended one-particle basis sets, have been performed for (Mg2+)n (O2-)m clusters embedded in a Madelung potential. The results of these calculations are used for setting up an incremental expansion for the correlation energy of bulk MgO. This way, 96% of the experimental cohesive energy of the MgO crystal is recovered. It is shown that only 60% of the correlation contribution to the cohesive energy is of intra-ionic origin, the remaining part being caused by van der Waals-like inter-ionic excitations." @default.
• W1977221897 created "2016-06-24" @default.
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• W1977221897 date "1995-08-15" @default.
• W1977221897 modified "2023-09-23" @default.
• W1977221897 title "Correlation effects in ionic crystals: The cohesive energy of MgO" @default.
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• W1977221897 doi "https://doi.org/10.1103/physrevb.52.4842" @default.
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