Q-Chem 5.0 User’s Manual

10.9 Distributed Multipole Analysis

Distributed Multipole Analysis (DMA)[634, 635] 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[636] 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[636].