نتایج جستجو برای: self consistent approximation model

تعداد نتایج: 2894399  

Journal: :Journal of physics. Condensed matter : an Institute of Physics journal 2015
A L Kutepov

Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ1 from the first-order perturbation theory, and the exact vertex Γ(E)). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is appli...

2013
Kirill D. Belashchenko V. P. Antropov K. D. Belashchenko N. E. Zein

The spectral densities for 3d and 4d transition metals are calculated using the simplified version of the self-consistent GW method employing the local ͑one-site͒ approximation and the self-consistent quasiparticle basis set. The results are compared with those given by the traditional local density approximation ͑LDA͒ and also with experimental x-ray photoemission and inverse photoemission spectra...

1999
B. Mehlig

We introduce a theory for the absorption of electromagnetic radiation by small metal particles, which generalises the random phase approximation by incorporating both electric and magnetic dipole absorption within a unified self-consistent scheme. We demonstrate the equivalence of the new approach to a superficially dissimilar perturbative approach. We show how to obtain solutions to the self-c...

Journal: :The Journal of chemical physics 2015
Niko Säkkinen Yang Peng Heiko Appel Robert van Leeuwen

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to ...

2002
H X Zhang S S Wu

The effect on the hadron propagators due to k µ k ν terms in the vector meson propagator Abstract In an approximation where the baryon current conservation is violated , the contribution of the k µ k ν terms in the vector meson propa-gator may not vanish. Their effects on the baryon and meson spectral functions and on the consequences of self-consistency are studied in the relativistic self-con...

2001
S. S. Wu

Effects of the k µ k ν terms in the vector meson propagator Abstract In an approximation where the baryon current conservation is violated , the contribution of the k µ k ν terms in the vector meson propa-gator may not vanish. Their effects on the baryon and meson spectral functions and on the consequences of self-consistency are studied in the relativistic self-consistent Hartree-Fock approxim...

2011
Ana Elizabeth Torres Thangarasu Pandiyan Fernando Colmenares

MCSCF-MRMP2 and DFT calculations were performed in order to analyze the stability and geometrical parameters of some possible intermediates for the reactions Ru2+ + H2O2 and Ru(H2O)6 + H2O2. At MCSCF-MRMP2 level of calculation, the stability predicted for the RuO(H2O)5 suggests an energetic preference of the reaction Ru(H2O)6 + H2O2 toward the products involving this high-valence intermediate, ...

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