GIMIC

The gauge including magnetically induced current method (GIMIC)

Picture from taken from: H. Fliegl, S. Taubert, O. Lehtonen, D. Sundholm, PCCP, 13, 20500 (2011)

GIMIC is a very useful program to calculate magnetically induced current densities using gauge including atomic orbitals. It has been developed as a joint project of the University of Helsinki and the University of Mainz by Jonas Jusélius (Helsinki, now Tromsø), Dage Sundholm (Helsinki) and Jürgen Gauss (Mainz).

GIMIC is currently used to determine the degree of aromaticity according to the magnetic criterion as well as for the calculation of current pathways in molecules. Recently it has been shown that it is possible to estimate hydrogen bond strength using magnetically induced current densities. There are also ongoing attempts to use the program for the investigation of current transport.

An overview of the GIMIC method as well as of application of the latter can be found in the following perspective article: 

H. Fliegl, S. Taubert, O. Lehtonen and D. Sundholm,
Perspective: The gauge including magnetically induced current method (GIMIC)
Phys. Chem. Chem. Phys., 13, 20500, (2011)

 

GIMIC related publications

 

Published Feb. 8, 2012 1:03 PM - Last modified June 8, 2016 3:29 PM