Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userMultiplicity of solutions to GW-type approximations
96
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
We show that the equations underlying the $GW$ approximation have a large number of solutions. This raises the question: which is the physical solution? We provide two theorems which explain why the methods currently in use do, in fact, find the correct solution. These theorems are general enough to cover a large class of similar algorithms. An efficient algorithm for including self-consistent vertex corrections well beyond $GW$ is also described and further used in numerical validation of the two theorems.
rate research
Read More
The accuracy of the many-body perturbation theory GW formalism to calculate electron-phonon coupling matrix elements has been recently demonstrated in the case of a few important systems. However, the related computational costs are high and thus represent strong limitations to its widespread application. In the present study, we explore two less demanding alternatives for the calculation of electron-phonon coupling matrix elements on the many-body perturbation theory level. Namely, we test the accuracy of the static Coulomb-hole plus screened-exchange (COHSEX) approximation and further of the constant screening approach, where variations of the screened Coulomb potential W upon small changes of the atomic positions along the vibrational eigenmodes are neglected. We find this latter approximation to be the most reliable, whereas the static COHSEX ansatz leads to substantial errors. Our conclusions are validated in a few paradigmatic cases: diamond, graphene and the C60 fullerene. These findings open the way for combining the present many-body perturbation approach with efficient linear-response theories.
In this paper, we consider the following Kirchhoff type equation $$ -left(a+ bint_{R^3}| abla u|^2right)triangle {u}+V(x)u=f(u),,,xinR^3, $$ where $a,b>0$ and $fin C(R,R)$, and the potential $Vin C^1(R^3,R)$ is positive, bounded and satisfies suitable decay assumptions. By using a new perturbation approach together with a new version of global compactness lemma of Kirchhoff type, we prove the existence and multiplicity of bound state solutions for the above problem with a general nonlinearity. We especially point out that neither the corresponding Ambrosetti-Rabinowitz condition nor any monotonicity assumption is required for $f$. Moreover, the potential $V$ may not be radially symmetry or coercive. As a prototype, the nonlinear term involves the power-type nonlinearity $f(u) = |u|^{p-2}u$ for $pin (2, 6)$. In particular, our results generalize and improve the results by Li and Ye (J.Differential Equations, 257(2014): 566-600), in the sense that the case $pin(2,3]$ is left open there.
We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives good results for well studied correlated materials such as NiO. Applied to the recently discovered iron arsenide materials, it accounts for the noticeable correlation features observed in optics and photoemission while explaining the absence of visible satellites in X-ray absorption experiments and other high energy spectroscopies.
The emph{GW} approximation takes into account electrostatic self-interaction contained in the Hartree potential through the exchange potential. However, it has been known for a long time that the approximation contains self-screening error as evident in the case of the hydrogen atom. When applied to the hydrogen atom, the emph{GW} approximation does not yield the exact result for the electron removal spectra because of the presence of self-screening: the hole left behind is erroneously screened by the only electron in the system which is no longer present. We present a scheme to take into account self-screening and show that the removal of self-screening is equivalent to including exchange diagrams, as far as self-screening is concerned. The scheme is tested on a model hydrogen dimer and it is shown that the scheme yields the exact result to second order in $(U_{0}-U_{1})/2t$ where $U_{0}$ and $U_{1}$ are respectively the onsite and offsite Hubbard interaction parameters and $t$ the hopping parameter.
In many-body perturbation theory (MBPT) the self-energy Sigma=iGWGamma plays the key role since it contains all the many body effects of the system. The exact self-energy is not known; as first approximation one can set the vertex function Gamma to unity which leads to the GW approximation. The latter properly describes the high-density regime, where screening is important; in the low-density regime, instead, other approximations are proposed, such as the T matrix, which describes multiple scattering between two particles. Here we combine the two approaches. Starting from the fundamental equations of MBPT we show how one can derive the T-matrix approximation to the self-energy in a common framework with GW. This allows us to elucidate several aspects of this formulation, including the origin of, and link between, the electron-hole and the particle-particle T matrix, the derivation of a screened T matrix, and the conversion of the T matrix into a vertex correction. The exactly solvable Hubbard molecule is used for illustration.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
