Embedding Algorithms

By breaking the system into fragments we neglect interactions among the fragments. We can build these interactions back in by considering higher-order truncations of the (G)MBE. Alternatively, we can ad hoc try to account for the missing interactions. This is where embedding methods come in. Embedding methods “embed” the fragment (or in general \(n\)-mer) in a low-level description of the rest of the system.

Contents:

• Density Embedding
  • FMO02 Embedding
• Point Charge Embedding
  • Non-Iterative
  • Iterative Point Charge Embedding
  • Screened Charge Model