English
Related papers

Related papers: Can $GW$ Handle Multireference Systems?

200 papers

Atoms and ions of Lanthanides have multiple opens shells along with an open $4f^k$ subshell. This paper studies the effect of electron correlation in such systems and how wave functions can be determined for the accurate prediction of…

Atomic Physics · Physics 2019-06-04 Charlotte Froese Fischer , Michel R. Godefroid

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation…

Strongly Correlated Electrons · Physics 2009-02-25 S. Pittalis , E. Rasanen , C. Proetto , E. K. U. Gross

We study the adiabatic connection that has as weak-coupling expansion the M{\o}ller-Plesset perturbation series, generalizing to the open-shell case previous closed-shell results for the large-coupling limit. We first focus on the hydrogen…

Chemical Physics · Physics 2024-04-01 Kimberly J. Daas , Eveline Klute , Michael Seidl , Paola Gori-Giorgi

We analyze a multiqubit circuit QED system in the regime where the qubit-photon coupling dominates over the system's bare energy scales. Under such conditions a manifold of low-energy states with a high degree of entanglement emerges. Here…

Quantum Physics · Physics 2017-11-03 Federico Armata , Giuseppe Calajo , Tuomas Jaako , M. S. Kim , Peter Rabl

A number of methods are discussed which may serve for a treatment of electron correlations in solids. When the electron correlations are relatively weak like in semiconductors or a number of ionic crystals one may start from a…

Condensed Matter · Physics 2007-05-23 Prof. Dr. Peter Fulde

This work stresses the importance of the choice of the set of reference functions in the Generalized Multichannel Quantum Defect Theory to analyze the location and the width of Feshbach resonance occurring in collisional cross-sections.…

Quantum Physics · Physics 2015-05-13 Rachidi Osséni , Olivier Dulieu , Maurice Raoult

The $GW$ approximation has become an important tool for predicting charged excitations of isolated molecules and condensed systems. Its popularity can be attributed to many factors, including a favorable scaling and relatively good…

Chemical Physics · Physics 2023-12-18 Daniel Mejia-Rodriguez

Most currently used approximations for the one-particle Green's function G in the framework of many-body perturbation theory, such as Hedin's GW approximation or the cumulant GW+C approach, are based on a linear response approximation for…

Strongly Correlated Electrons · Physics 2020-08-05 Marilena Tzavala , Joshua J. Kas , Lucia Reining , John J. Rehr

A simple theory for the leading-order correction g_1(r) to the structure of a hard-sphere liquid with discrete (e.g. square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively…

Statistical Mechanics · Physics 2007-12-10 Artur B. Adib

The Higgs low-energy theorem gives a simple and elegant way to estimate the couplings of the Higgs boson to massless gluons and photons induced by loops of heavy particles. We extend this theorem to take into account possible nonlinear…

High Energy Physics - Phenomenology · Physics 2015-03-20 M. Gillioz , R. Grober , C. Grojean , M. Muhlleitner , E. Salvioni

We perform $GW$ calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials and on particle number conservation. We further…

Other Condensed Matter · Physics 2015-05-13 Adrian Stan , Nils Erik Dahlen , Robert van Leeuwen

Excited states exhibiting double excitation character are notoriously difficult to model using conventional single-reference methods, such as adiabatic time-dependent density-functional theory (TD-DFT) or equation-of-motion coupled cluster…

We introduce the first multiorbital effective tight-binding model to describe the effect of electron-electron interactions in this system. Upon fixing all the effective hopping parameters in the normal state against an ab initio band…

Strongly Correlated Electrons · Physics 2017-06-27 Lei Su , Chuang-Han Hsu , Hsin Lin , Vitor M. Pereira

Transport properties of strongly correlated quantum systems are of central interest in condensed matter, ultracold atoms and in dense plasmas. There, the proper treatment of strong correlations poses a great challenge to theory. Here, we…

Strongly Correlated Electrons · Physics 2015-03-06 M. Bonitz , N. Schluenzen , S. Hermanns

Using a path integral approach and bosonization, we calculate the low energy asymptotics of the one particle Green's function for a ``magnetically incoherent'' one dimensional strongly interacting electron gas at temperatures much greater…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Gregory A. Fiete , Leon Balents

We report unphysical irregularities and discontinuities in some key experimentally-measurable quantities computed within the GW approximation of many-body perturbation theory applied to molecular systems. In particular, we show that the…

Chemical Physics · Physics 2019-05-06 Mickaël Véril , Pina Romaniello , J. A. Berger , Pierre-François Loos

New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…

Chemical Physics · Physics 2018-09-05 Jerry L. Whitten

We use a generalized master equation (GME) to describe the nonequilibrium magnetotransport of interacting electrons through a broad finite quantum wire with an embedded ring structure. The finite quantum wire is weakly coupled to two broad…

Mesoscale and Nanoscale Physics · Physics 2012-03-15 Vidar Gudmundsson , Chi-Shung Tang , Olafur Jonasson , Valeriu Moldoveanu , Andrei Manolescu

The $GW$-Bethe-Salpeter Equation (BSE) method is promising for calculating the low-lying excited states of molecular systems. So far, it has only been applied to rather small molecules, and in the commonly implemented diagonal…

Chemical Physics · Physics 2022-08-10 Arno Förster , Lucas Visscher

In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…

Materials Science · Physics 2015-05-18 Sohrab Ismail-Beigi