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Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Land\'e $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks…

原子物理 · 物理学 2018-03-14 Pradeep Kumar , Cheng-Bin Li , B. K. Sahoo

The many-body problem is usually approached from one of two perspectives: the first originates from an action and is based on Feynman diagrams, the second is centered around a Hamiltonian and deals with quantum states and operators. The…

强关联电子 · 物理学 2021-10-15 Fabian B. Kugler , Seung-Sup B. Lee , Jan von Delft

In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…

介观与纳米尺度物理 · 物理学 2016-04-26 J. Salfi , J. A. Mol , R. Rahman , G. Klimeck , M. Y. Simmons , L. C. L. Hollenberg , S. Rogge

We use an exact holon and spinon Landau-liquid functional which describes the holon - spinon interactions at all scattering orders, to study correlation functions of integrable multicomponent many-particle problems showing both linear and…

强关联电子 · 物理学 2007-05-23 J. M. P. Carmelo , J. M. E. Guerra , J. M. B. Lopes dos Santos , A. H. Castro Neto

Tight-binding single-particle models on simple Bravais lattices in space dimension $d \geq 2$, when exposed to commensurate DC fields, result in the complete absence of transport due to the formation of Wannier--Stark flatbands [Phys. Rev.…

量子气体 · 物理学 2022-10-05 Arindam Mallick , Alexei Andreanov , Sergej Flach

We investigate a Kondo lattice model with correlated conduction electrons. Within dynamical mean-field theory the model maps onto an impurity model where the host has to be determined self-consistently. This impurity model can be derived…

强关联电子 · 物理学 2009-10-31 Tom Schork , Stefan Blawid , Jun-ichi Igarashi

A novel approach to investigation of correlation effects in the electronic structure of magnetic crystals which takes into account a frequency dependence of the self energy (so called ``LDA++ approach'') is developed. The fluctuation…

强关联电子 · 物理学 2009-10-31 M. I. Katsnelson , A. I. Lichtenstein

The DCA$^+$ algortihm was recently introduced to extend the dynamic cluster approximation (DCA) with a continuous lattice self-energy in order to achieve better convergence with cluster size. Here we extend the DCA$^+$ algorithm to the…

强关联电子 · 物理学 2015-06-18 Peter Staar , Thomas Maier , Thomas Schulthess

Atomic quadrupole moments and hyperfine constants of the metastable $^2 D_{3/2, 5/2}$ states of Ca$^+$, Sr$^+$, Ba$^+$, Yb$^+$, and Hg$^+$ are calculated by the multiconfiguration Dirac-Hartree-Fock and relativistic…

原子物理 · 物理学 2009-11-11 W. M. Itano

We consider single-particle spectra of a symmetric narrow-band Anderson impurity model, where the host bandwidth $D$ is small compared to the hybridization strength $\Delta_{0}$. Simple 2nd order perturbation theory (2PT) in $U$ is found to…

强关联电子 · 物理学 2009-10-31 Steffen Schäfer , David E Logan

We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…

强关联电子 · 物理学 2018-11-13 Yuan Liu , Minsik Cho , Brenda Rubenstein

The around-the-mean-field version of the LDA+U method is applied to investigate electron correlation effects in $\delta$-Pu. It yields a non-magnetic ground state of $\delta-$Pu, and provides a good agreement with experimental equilibrium…

强关联电子 · 物理学 2009-11-11 Alexander B. Shick , Vaclav Drchal , Ladislav Havela

Despite concerted efforts, the problem of dilute local moments embedded in a correlated conduction electron host such as Nd$_{1-x}$Ce$_x$CuO$_2$ persists due to lack of analytically controllable models. Here, we address the question: how do…

强关联电子 · 物理学 2021-06-01 Chandan Setty

Using the numerical renormalization group method, the effect due to a Kondo impurity in an $s$-wave superconductor is examined at finite temperature ($T$). The $T$-behaviors of the spectral function and the magnetic moment at the impurity…

强关联电子 · 物理学 2019-05-08 Chenrong Liu , Yixuan Huang , Yan Chen , C. S. Ting

In the density-functional studies of materials with localized electronic states, the local/semilocal exchange-correlation functionals are often either combined with a Hubbard parameter $U$ as in the LDA+$U$ method or mixed with a fraction…

材料科学 · 物理学 2014-07-24 Mehmet Aras , Çetin Kılıç

The wavefunction method provides us with a useful tool to describe electron correlations in solids at the ground state. In this paper we review the recent development of the momentum-dependent local ansatz wavefunction (MLA). It is…

强关联电子 · 物理学 2015-06-22 Yoshiro Kakehashi , Sumal Chandra , Derwyn Rowlands , M. Atiqur R. Patoary

The system of several (N) quantum dots coupled in parallel to the same single-mode conduction channel can be modelled as a single-channel N-impurity Anderson model. Using the generalized Schrieffer-Wolff transformation we show that near the…

强关联电子 · 物理学 2007-06-13 R. Zitko , J. Bonca

Using the LDA+$\textit{U}_\text{sc}$ method, we present calculations phase relations of iron monoxides involving five polytypes in multiple spin-state configurations. The Hubbard parameter $U$ is determined self-consistently simultaneously…

材料科学 · 物理学 2020-06-11 Yang Sun , Matteo Cococcioni , Renata M. Wentzcovitch

We formulate a multi-band generalisation of the time-dependent Gutzwiller theory. This approach allows for the calculation of general two-particle response functions, which are crucial for an understanding of various experiments in…

强关联电子 · 物理学 2015-03-19 E. v. Oelsen , G. Seibold , J. Bünemann

Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…

材料科学 · 物理学 2024-03-19 Hyeondeok Shin , Kevin Gasperich , Tomas Rojas , Anh T. Ngo , Jaron T. Krogel , Anouar Benali