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Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

Employing a largely unbiased variational exact diagonalization technique, we analyze the consequences of longer-ranged electron hopping and electron-phonon interaction on polaron formation in one dimension. Having at our disposal the…

Strongly Correlated Electrons · Physics 2024-02-20 Monodeep Chakraborty , Jayita Chatterjee , Holger Fehske

Spin-orbit coupling in systems with broken inversion symmetry gives rise to the Edelstein effect, which is the induced spin polarization in response to an applied electric field or current, and the inverse Edelstein effect, which is the…

Strongly Correlated Electrons · Physics 2026-03-31 Mojdeh Saleh , Abhishek Kumar , Dmitrii L. Maslov , Saurabh Maiti

EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to…

We introduce a simple ansatz for the wavefunction of a many-body system based on coupled forward and backward-propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in…

Chemical Physics · Physics 2018-05-01 Shunsuke A. Sato , Aaron Kelly , Angel Rubio

For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…

Strongly Correlated Electrons · Physics 2016-08-31 Marcello Acquarone , Canio Noce

We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional perturbation theory together with very accurate Wannier…

We develop a variational approach at finite temperature that incorporates many-body correlation self-consistently. The grand potential is constructed in terms of Green's function expressed by the variational parameters. We apply this…

Quantum Gases · Physics 2019-05-30 Akimitsu Kirikoshi , Wataru Kohno , Takafumi Kita

The electron-phonon (e-ph) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge-density-waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph…

Strongly Correlated Electrons · Physics 2021-07-12 B. Nosarzewski , E. W. Huang , Philip M. Dee , I. Esterlis , B. Moritz , S. A. Kivelson , S. Johnston , T. P. Devereaux

We study the small-polaron problem of a single electron interacting with the lattice for the Holstein model in the adiabatic limit on a comb lattice, when the electron-phonon interaction acts only on the base sites. The ground state…

Strongly Correlated Electrons · Physics 2007-08-07 Ilaria Meccoli , Massimo Capone

We study the electron-phonon interaction in the strongly correlated superconducting cuprates. Two types of the electron-phonon interactions are introduced in the $t-J$ model; the diagonal and off-diagonal interactions which modify the…

Strongly Correlated Electrons · Physics 2009-11-10 Sumio Ishihara , Naoto Nagaosa

We study the isotope effects arising from the coupling of correlated electrons with dispersionless phonons by considering the Hubbard-Holstein model at half-filling within the dynamical mean-field theory. In particular we calculate the…

Strongly Correlated Electrons · Physics 2007-08-08 P. Paci , M. Capone , E. Cappelluti , S. Ciuchi , C. Grimaldi

We use the dynamical mean field theory to develop a systematic and computationally tractable method for studying electron-phonon interactions in systems with arbitrary electronic correlations. The method is formulated as an adiabatic…

Strongly Correlated Electrons · Physics 2009-10-31 A. Deppeler , A. J. Millis

Using the Singwi-Tosi-Land-Sjolander theory we have studied the many-body effects in the two-dimensional electron gas with arbitrary polarization at finite temperatures. We have calculated the structure factors, pair correlation functions,…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Nguyen Quoc Khanh

Looking for superconductors with higher transition temperature requires a guiding principle. In conventional superconductors, electrons pair up into Cooper pairs via the retarded attraction mediated by electron-phonon coupling.…

Strongly Correlated Electrons · Physics 2015-11-11 Da Wang , Wan-Sheng Wang , Qiang-Hua Wang

We introduce a new type of Gutzwiller variational wavefunction for correlated electrons coupled to phonons, able to treat on equal footing electronic and lattice degrees of freedom. We benchmark the wavefunction in the infinite-$U$…

Strongly Correlated Electrons · Physics 2007-07-24 P. Barone , R. Raimondi , M. Capone , C. Castellani , M. Fabrizio

Understanding of the energy exchange between electrons and phonons in metals is important for micro- and nano-manufacturing and system design. The electron-phonon (e-ph) coupling constant is to describe such exchange strength, yet its…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Wuli Miao , Moran Wang

We perform investigation of Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+\Sigma method is employed with…

Strongly Correlated Electrons · Physics 2009-10-02 E. Z. Kuchinskii , I. A. Nekrasov , M. V. Sadovskii

The aim of this study was to determine the strengths of the coupling of electrons with the polar long-wavelength transverse optical (TO) vibrations from infrared spectroscopy data. This determination is made by means of a simple…

Materials Science · Physics 2015-05-19 Aleksandr Pishtshev

We investigate the interplay of phonons and correlations in superconducting pairing by introducing a model Hamiltonian with on-site repulsion and couplings to several vibration branches having the Cu-O plane of the cuprates as a paradigm.…

Superconductivity · Physics 2009-11-10 Enrico Perfetto , Michele Cini