Search results for "Self consistency"
showing 2 items of 2 documents
Levels of self-consistency in the GW approximation
2009
We perform $GW$ calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials and on particle number conservation. We further propose a partially self-consistent $GW$ scheme in which we keep the correlation part of the self-energy fixed within the self-consistency cycle. This approximation is compared to the fully self-consistent $GW$ results and to the $G W_0$ and the $G_0W_0$ approximations. Total energies, ionization potentials and two-electron removal energies obtained with our partially self-consistent $GW$ approximation are in excellent agreement with fully self-consistent $…
Self-consistency conditions for localized magnetic moments in a free electron gas
1969
The self-consistent conditions for a localized magnetic moment in a metal are studied in the case where the density of states of the host metal is free electron like. A method is outlined which in principle allows to determine self-consistently in the Hartree-Fock approximation the relevant parameters of the magnetic ground state of the system. A numerical example is approximately worked out to show how the theory gives reasonable answers in spite of the crudeness of some of the approximations used.