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A new class of orbital-dependent exchange-correlation (xc) potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential (OEP) formalism for the exact exchange…

介观与纳米尺度物理 · 物理学 2018-08-01 Carsten A. Ullrich

We theoretically investigate nonlinear localized excitations in a Heisenberg honeycomb ferromagnet with a second neighbour Dzialozinskii-Moriya interaction, which has been proved to possess the topological band structure. Using the…

介观与纳米尺度物理 · 物理学 2021-05-31 Wenhui Feng , Bing Tang , Lanjun Wu , Peng Kong , Chao Yang , Lei Wang , Ke Deng

It is shown how to construct Keldysh diagram technique for pseudo - particle approach to the Hubbard model. We propose self consistent equations for pseudo particle and electron Green functions in Keldysh diagram technique. Nonlocal effects…

强关联电子 · 物理学 2014-08-27 P. I. Arseyev , N. S. Maslova

We study the single-band Hubbard model under the action of an external magnetic field using the cumulant Green's functions method (CGFM). The starting point of the method is to diagonalize a cluster containing N correlated sites (seed) and…

强关联电子 · 物理学 2023-04-12 Renan Lira , Peter Riseborough , Jereson Silva-Valencia , Marcos Figueira

We apply the ideas of effective field theory to nonrelativistic quantum mechanics. Utilizing an artificial boundary of ignorance as a calculational tool, we develop the effective theory using boundary conditions to encode short-ranged…

原子物理 · 物理学 2022-06-13 David M. Jacobs , Matthew Jankowski

We study the half filled extended Hubbard model on a two-dimensional square lattice using cluster dynamical mean field theory on clusters of size 8-20. We show that the model exhibits metallic, Mott insulating, and charge ordered phases,…

强关联电子 · 物理学 2017-04-28 Hanna Terletska , Tianran Chen , Emanuel Gull

We derive and describe in detail a recently proposed method for obtaining Coulomb interactions as the potential of mean force between charges which are dynamically coupled to a local electromagnetic field. We focus on the Molecular Dynamics…

统计力学 · 物理学 2009-11-10 Igor Pasichnyk , Burkhard Duenweg

We formulate a general cluster Dual Fermion Approach to nonlocal correlations in crystals. The scheme allows the treatment of long-range correlations beyond cluster DMFT and nonlocal effects in realistic calculations of multiorbital…

强关联电子 · 物理学 2015-05-13 H. Hafermann , S. Brener , A. N. Rubtsov , M. I. Katsnelson , A. I. Lichtenstein

A microscopic theory of superconductivity in the extended Hubbard model which takes into account the intersite Coulomb repulsion and electron-phonon interaction is developed in the limit of strong correlations. The Dyson equation for normal…

强关联电子 · 物理学 2013-04-01 Nikolay M. Plakida , Viktor S. Oudovenko

Momentum dependent local-ansatz (MLA) wavefunction describes accurately electron correlations from the weak to intermediate Coulomb interaction regimes. We point out that the MLA can describe the correlations from the weak to strong Coulomb…

强关联电子 · 物理学 2015-06-12 M. Atiqur R. Patoary , Sumal Chandra , Yoshiro Kakehashi

Non-local correlation effects in the half-filled Hubbard model on an isotropic triangular lattice are studied within a spin polarized extension of the dual fermion approach. A competition between the antiferromagnetic non-collinear and the…

强关联电子 · 物理学 2016-01-05 A. E. Antipov , A. N. Rubtsov , M. I. Katsnelson , A. I. Lichtenstein

A multi-band effective-mass Hamiltonian is derived for lattice-matched semiconductor nanostructures in a slowly varying external magnetic field. The theory is derived from the first-principles magnetic-field coupling Hamiltonian of Pickard…

材料科学 · 物理学 2007-05-23 Bradley A. Foreman

A repulsive Coulomb interaction between electrons in different orbitals in correlated materials can give rise to bound quasiparticle states. We study the non-hybridized two-orbital Hubbard model with intra (inter)-orbital interaction $U$…

强关联电子 · 物理学 2018-04-04 Y. Nunez-Fernandez , G. Kotliar , K. Hallberg

We study spatial correlation effects in multiorbital systems, especially in a paramagnetic metallic state subject to Hund's coupling. We apply a cluster extension of the dynamical mean-field theory (DMFT) to the three-orbital Hubbard model…

强关联电子 · 物理学 2015-06-10 Yusuke Nomura , Shiro Sakai , Ryotaro Arita

Strong correlation effects, which are often associated to the approach to a Mott insulating state, in some cases may be observed even far from half-filling. This typically happens whenever the inter-site Coulomb repulsion induces a tendency…

A consistent microscopic theory of superconductivity for strongly correlated electronic systems is presented. The Dyson equation for the normal and anomalous Green functions for the projected (Hubbard) electronic operators is derived. To…

强关联电子 · 物理学 2021-01-19 N. M. Plakida

The problem of finding of the ferromagnetic and antiferromagnetic "symmetry broken" solutions of the correlated lattice fermion models beyond the mean-field approximation has been investigated. The calculation of the quasiparticle…

强关联电子 · 物理学 2007-05-23 A. L. Kuzemsky

The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…

强关联电子 · 物理学 2007-05-23 Igor Sandalov , Borje Johansson , Olle Eriksson

The recently developed "internal" Density Functional Theory provides an existence theorem for a local potential that contains the center-of-mass correlations effects. The knowledge of the corresponding energy functional would provide a much…

核理论 · 物理学 2015-06-05 Jeremie Messud

In this paper, we study the Hubbard model with intersite Coulomb interaction in the ionic limit (i.e. no kinetic energy). It is shown that this model is isomorphic to the spin-1 Ising model in presence of a crystal field and an external…

强关联电子 · 物理学 2007-05-23 F. Mancini