Electronic structures, intermolecular interaction models

The extended geminal models have two main advantages. First, the conceptual structure which facilitates interpretation. This property is utilized in several studies on intermolecular interactions where energy decomposition schemes illuminate the character of the bonding. Second, the models are highly accurate. This feature is related to the FCI corrections on which the models are based. The reported calculations on few-electron systems illustrate this point. However, as demonstrated by the calculation on the neon dimer reported in this work, a high accuracy of a calculation on larger systems, require that at least triple pair corrections are included. 

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