The DEDA Approach

The density-based energy decomposition analysis (DEDA) method was recently developed by Wu et al. [38] for intermolecular interactions, as illustrated in Fig. 4.1. Similar to other energy decomposition analysis approaches, the determination of binding energy components between two isolated molecules - A (with density po, A) and B (with density po, B) - and their binding complex 

AB (with density poAB) involves two constructed intermediate states. 

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