Q-Chem 5.1 User’s Manual

11.8 Distributed Multipole Analysis

Distributed Multipole Analysis[Stone(1981), Stone and Alderton(1985)] (DMA) is a method to represent the electrostatic potential of a molecule in terms of a multipole expansion around a set of points. The gdma code[Stone(2005)] by Prof. Anthony Stone can be used to perform DMA analysis after Q-Chem calculations. The gdma program works with formatted checkpoint files (.fchk) produced by Q-Chem. For further information consult the documentation for the gdma package.[Stone(2005)]