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State-of-the-art model Hamiltonians, like Fr\"ohlich's, or density functional theory approaches to electron-phonon interaction suffer from a severe overscreening error. This is due to the incorrect treatment of the screening of the ionic…

材料科学 · 物理学 2023-11-17 Fulvio Paleari , Andrea Marini

Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…

强关联电子 · 物理学 2025-05-14 Jennifer Coulter , Andrew J. Millis

We propose to go beyond the usual Hubbard model description of atoms in optical lattices and show how few-body physics can be used to simulate many-body phenomena, e.g., an electron-phonon system. We take one atomic species to be trapped in…

量子气体 · 物理学 2014-09-26 Zhihao Lan , Carlos Lobo

We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…

强关联电子 · 物理学 2015-12-10 Yusuke Nomura , Ryotaro Arita

We use both a perturbative Green's function analysis and standard perturbative quantum mechanics to calculate the decrease in energy and the effective mass for an electron interacting with acoustic phonons. The interaction is between the…

强关联电子 · 物理学 2011-02-11 Zhou Li , Carl J. Chandler , F. Marsiglio

Many-body theory is largely based on self-consistent equations that are constructed in terms of the physical quantity of interest itself, for example the density. Therefore, the calculation of important properties such as total energies or…

材料科学 · 物理学 2015-10-28 Adrian Stan , Pina Romaniello , Santiago Rigamonti , Lucia Reining , J. A. Berger

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…

介观与纳米尺度物理 · 物理学 2016-01-20 N. Säkkinen , Y. Peng , H. Appel , R. van Leeuwen

This paper is devoted to development of perturbation theory for studying the properties of graphene sheet of finite size, at nonzero temperature and chemical potential. The perturbation theory is based on the tight-binding Hamiltonian and…

强关联电子 · 物理学 2015-12-16 N. Yu. Astrakhantsev , V. V. Braguta , M. I. Katsnelson

Multiphonon processes in a model quantum dot (QD) containing two electronic states and several optical phonon modes are considered taking into account both intra- and inter-level terms. The Hamiltonian is exactly diagonalized including a…

介观与纳米尺度物理 · 物理学 2007-05-23 M. I. Vasilevskiy , E. V. Anda , S. S. Makler

Many-body perturbation theory is often formulated in terms of an expansion in the dressed instead of the bare Green's function, and in the screened instead of the bare Coulomb interaction. However, screening can be calculated on different…

强关联电子 · 物理学 2021-09-15 Walter Tarantino , Bernardo S. Mendoza , Pina Romaniello , J. A. Berger , Lucia Reining

In recent years many-body perturbation theory encountered a renaissance in the field of ab initio nuclear structure theory. In various applications it was shown that perturbation theory, including novel flavors of it, constitutes a useful…

核理论 · 物理学 2020-01-29 Alexander Tichai , Robert Roth , Thomas Duguet

We present an analytical many-body formalism for systems of spherical particles carrying arbitrary free charge distributions and interacting in a polarizable electrolyte solution, that we model within the linearized Poisson--Boltzmann…

软凝聚态物质 · 物理学 2025-12-15 Sergii V. Siryk , Walter Rocchia

Density functional perturbation theory is used to analyze electron-phonon interaction in bilayer graphene. The results show that phonon scattering in bilayer graphene bears more resemblance with bulk graphite than monolayer graphene. In…

介观与纳米尺度物理 · 物理学 2010-11-29 K. M. Borysenko , J. T. Mullen , X. Li , Y. G. Semenov , J. M. Zavada , M. Buongiorno Nardelli , K. W. Kim

First-principles calculations combining density functional theory and many-body perturbation theory can provide microscopic insight into the dynamics of electrons and phonons in materials. We review this theoretical and computational…

材料科学 · 物理学 2016-11-23 Marco Bernardi

A method is proposed for the inclusion of electron correlation in the calculation of the temperature dependence of band structures arising from electron-phonon coupling. It relies on an efficient exploration of the vibrational phase space…

材料科学 · 物理学 2016-03-04 Bartomeu Monserrat

We propose a scheme to extract the many-body spectral function of an interacting many-electron system from an equilibrium density functional theory (DFT) calculation. To this end we devise an ideal STM-like setup and employ the recently…

介观与纳米尺度物理 · 物理学 2018-02-20 David Jacob , Stefan Kurth

Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…

强关联电子 · 物理学 2025-07-21 David J. Abramovitch , Jennifer Coulter , Sophie Beck , Andrew Millis

The Hubbard-Holstein model is a simple model including both electron-phonon interaction and electron-electron correlations. We review a body of theoretical work investigating the effects of strong correlations on the electron-phonon…

强关联电子 · 物理学 2014-11-20 M. Capone , C. Castellani , M. Grilli

A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…

强关联电子 · 物理学 2010-09-17 Christian Brouder

Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into…

化学物理 · 物理学 2015-02-20 Odile Franck , Bastien Mussard , Eleonora Luppi , Julien Toulouse