#include <Sparrow/Implementations/DipoleMomentCalculator.h>
#include <Utils/Typenames.h>

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Classes
class	Scine::Sparrow::DFTBDipoleMomentCalculator< DFTBMethod >
	This class calculates the electrical dipole moment for the DFTB methods. Right now it calculates the dipole through a Mulliken population analysis. New methods can then be implemented if deemed necessary. In particular, with this approximation transition dipoles from orbitals on the same atom can be vastly underestimated, which is of importance for TD-DFTB. More...

Detailed Description

Copyright: This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.

Classes