Abstract
Electron correlations have a strong influence on the bonding properties of atoms. Although the correlation energy is usually very small compared to the large SCF energy, it is often of the same order of magnitude as the energy differences one wants to calculate. An example is the binding energy of atoms in molecules, to which correlations contribute considerably. They should therefore be considered an important ingredient of chemical bonding.
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Chapter 8
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Fulde, P. (1993). Correlations in Atoms and Molecules. In: Electron Correlations in Molecules and Solids. Springer Series in Solid-State Sciences, vol 100. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-97477-9_8
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DOI: https://doi.org/10.1007/978-3-642-97477-9_8
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