FEA Fragmentation Method

Introduced by Li and Li⁵⁸ as an extension of the Divide and Conquer Local Correlation Fragmentation Method method. The FEA fragmentation algorithm is quite simple:

1. Divide the system into pseudoatoms

2. Let \(P_I\) be the :math:I`-th pseudoatom, fragment :math:I` consists of \(P_I\) and all pseudoatoms that are within some distance \(R\) of \(P_I\)

   • How the distance is measured is not discussed.

   • A value of 2.5 Angstroms is recommended for \(R\)

The difference between the FEA fragmentation algorithm and the DCLC fragmentation method is that the former uses distances, whereas the latter uses connectivity.