This can be overcome to a large extent in eigenvalue-only self-consistent GW (evGW), in which the quasiparticle energies (but not the density) are iteratively updated until self-consistency is reached. A downside of this approach is the rather pronounced starting-point dependence. The most popular approach is G 0W 0 1, in which quasiparticle energies are obtained as a one-shot perturbative correction to KS eigenvalues. Instead, perturbative approximations, so called quasiparticle GW methods are used since they are cheaper and also more accurate than fully self-consistent GW. In practice, fully self-consistent GW is rarely used for molecular systems. GW should not be used in combination with solvent models, like COSMO, or other environments. GW can be used with scalar and spin-orbit coupled relativistic effects within the ZORA, X2C, or RA-X2C formalism. very accurate ionization potentials and electron affinities which gives access to the so-called fundamental gap (not to be confused with the optical gap). These are especially important to interpret and predict the outcome of direct and inverse photo-emission spectroscopy and can be used to obtain e.g. We refer to them as Quasiparticle energies. The GW method is a relatively accurate method to obtain information about so-called charged excitations, or single-particle excitations. Tutorial: Accurate Ionization Potential and Electron Affinity with GW
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