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## Interface To GIMIC## GIMIC - Gauge-Including Magnetically Induced CurrentsGIMIC is a program for calculating magnetically induced current densities in closed-shell molecules. It uses Gauge-Including Atomic Orbitals (GIAOs) to improve basis set convergence with respect to the magnetic gauge origin. The GIMIC code implements the theory outlined in
- Calculation of magnetically induced current densities
- Caclulation of the current for a given magnetic field in specified cut-planes
- Integration of the net current flow through a defined cut-plane
- Calculation of the divergence of the current
- Calculation of the Sambe-Epstein integral condition
- Calculation of the electronic charge density on a grid
For information about obtaining the GIMIC code see https://github.com/qmcurrents/gimic/blob/master/README.md |

Page last modified on December 24, 2019, at 04:48 PM

CFOUR is partially supported by the U.S. National Science Foundation.