arXiv subjects

Arno Schindlmayr

Publications and source records attributed to Arno Schindlmayr.

23 records · Page 2Linked to original sources

arXiv1997

Assessment of the GW approximation using Hubbard chains

We investigate the performance of the GW approximation by comparison to exact results for small model systems. The role of the chemical potentials in Dyson's equation as well as the consequences of numerical resonance broadening are examined, and we show how a proper treatment can improve computational implementations of many-body perturbation theory in general. GW and exchange-only calculations are performed over a wide range of fractional band fillings and correlation strengths. We thus identify the physical situations where these schemes are applicable.

cond-mat.mtrl-sci↗

arXiv1997

Systematic vertex corrections through iterative solution of Hedin's equations beyond the GW approximation

We present a general procedure for obtaining progressively more accurate functional expressions for the electron self-energy by iterative solution of Hedin's coupled equations. The iterative process starting from Hartree theory, which gives rise to the GW approximation, is continued further, and an explicit formula for the vertex function from the second full cycle is given. Calculated excitation energies for a Hubbard Hamiltonian demonstrate the convergence of the iterative process and provide further strong justification for the GW approximation.

cond-mat.mtrl-sci↗

arXiv1997

Excitons with anisotropic effective mass

We present a simple analytic scheme for calculating the binding energy of excitons in semiconductors that takes full account of the existing anisotropy in the effective mass, as a complement to the qualitative treatment in most textbooks. Results obtained for excitons in gallium nitride form the basis for a discussion of the accuracy of this approach.

physics.ed-ph↗

arXiv1997

Violation of particle number conservation in the GW approximation

We present a nontrivial model system of interacting electrons that can be solved analytically in the GW approximation. We obtain the particle number from the GW Green's function strictly analytically, and prove that there is a genuine violation of particle number conservation if the self-energy is calculated non-self-consistently from a zeroth order Green's function, as done in virtually all practical implementations. We also show that a simple shift of the self-energy that partially restores self-consistency reduces the numerical deviation significantly.

cond-mat.mtrl-sci↗

arXiv1997

Density-functional theory and the v-representability problem for model strongly correlated electron systems

Inspired by earlier work on the band-gap problem in insulators, we reexamine the treatment of strongly correlated Hubbard-type models within density-functional theory. In contrast to previous studies, the density is fully parametrized by occupation numbers and overlap of orbitals centered at neighboring atomic sites, as is the local potential by the hopping matrix. This corresponds to a good formal agreement between density-functional theory in real space and second quantization. It is shown that density-functional theory is formally applicable to such systems and the theoretical framework is provided. The question of noninteracting v representability is studied numerically for finite one-dimensional clusters, for which exact results are available, and qualitatively for infinite systems. This leads to the conclusion that the electron density corresponding to interacting systems of the type studied here is in fact not noninteracting v representable because the Kohn-Sham electrons are unable to reproduce the correlation-induced localization correctly.

cond-mat.str-el↗