User Guide

The Interaction EDA step decomposes the interaction energy between the fragments of a cluster – usually its molecules – into electrostatics, Pauli repulsion, dispersion, polarization and charge transfer. It computes the whole cluster and its pairs, and optionally its triples, and splits each term into its 2-body and many-body parts.

• The EDA terms
• Many-body effects
• Settings
• Output

Indices and tables

• Index

• Search Page