1) Hi everyone.
Is iIs it possible in Dmol3 to apply an external point charge to the system? In my case it should work as a driver to change the charge distribution within a molecule.
ThThanks!
1) Hi everyone.
Is iIs it possible in Dmol3 to apply an external point charge to the system? In my case it should work as a driver to change the charge distribution within a molecule.
ThThanks!