DFTBDipoleMatrixCalculator.h File Reference

#include "TransitionChargesCalculator.h"
#include <Sparrow/Implementations/DipoleMatrixCalculator.h>
#include <Utils/DataStructures/DipoleMatrix.h>
#include <Utils/Typenames.h>
#include <memory>

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Classes
class	Scine::Sparrow::DFTBDipoleMatrixCalculator< DFTBMethod >
	Class responsible for the calculation of the dipole matrix in MO basis for DFTB methods. This class calculates the dipole matrix in MO basis according to R. Rüger, E. van Lenthe, T. Heine and L. Visscher, Tight-Binding Approximations to Time-Dependent Density Functional Theory. 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.