Extensions to GPAW
Extensions to GPAW
Extensions to GPAW
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Evaluation of the terms<br />
Cavity<br />
Δ G cav<br />
=γ A A=A({ R a vdW })<br />
Pauli-repulsion<br />
G int ∝∫ d r ρ(r) g (r)<br />
Poisson eqtn in presence of a dielectric medium ε(r)<br />
22.5.2013 Michael Walter 16
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