Add external fields to dft calculations

votca / xtp

GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems

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Add external fields to dft calculations #351

Closed JensWehner closed 4 years ago

JensWehner commented 4 years ago

U=F_ext*r

should be possible to integrate via the dipole integrals.

baumeier commented 4 years ago

Closed #353