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We develop a Green's function approach to quasiparticle excitations of open-shell systems within the GW approximation. It is shown that accurate calculations of the characteristic multiplet structure require a precise knowledge of the self…

Materials Science · Physics 2014-09-11 Johannes Lischner , Jack Deslippe , Manish Jain , Steven G. Louie

Many-body functionals of the Green's function can provide fundamental advances in electronic-structure calculations, due to their ability to accurately predict both spectral and thermodynamic properties, such as angle-resolved photoemission…

Strongly Correlated Electrons · Physics 2025-08-26 Tommaso Chiarotti , Matteo Quinzi , Andrea Pintus , Mario Caserta , Andrea Ferretti , Nicola Marzari

We construct, using fermionic functional integrals, thermodynamic Green's functions for a weakly coupled fermion gas whose Fermi energy lies in a gap. Estimates on the Green's functions are obtained that are characteristic of the size of…

Mathematical Physics · Physics 2009-11-07 Joel Feldman , Horst Knoerrer , Eugene Trubowitz

Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…

Chemical Physics · Physics 2016-11-24 Alicia Rae Welden , Alexander A. Rusakov , Dominika Zgid

We compare the pole structure of the electronic Green's function obtained by Cluster Dynamical Mean Field Theory to the results from the fractionalized Pair Density Wave idea. In the superconducting phase, we can consider the system in a…

Strongly Correlated Electrons · Physics 2021-06-09 Maxence Grandadam , Catherine Pépin

The development of new exchange-correlation functionals within density functional theory means that increasingly accurate information is accessible at moderate computational cost. Recently, a newly developed self-consistent hybrid…

Materials Science · Physics 2017-11-10 Daniel Fritsch , Benjamin J. Morgan , Aron Walsh

Hole and spin Green's functions of the two-dimensional t-J model of the Cu-O planes are calculated in an approximation which retains the rotation symmetry in the paramagnetic state and has no presumed magnetic ordering. In this…

Strongly Correlated Electrons · Physics 2007-05-23 A. Sherman , M. Schreiber

We present a numerically efficient technique to evaluate the Green's function for extended two dimensional systems without relying on periodic boundary conditions. Different regions of interest, or `patches', are connected using self energy…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Mikkel Settnes , Stephen R. Power , Jun Lin , Dirch H. Petersen , Antti-Pekka Jauho

We report an exhaustive study of the performance of different variants of Green function methods for the spherium model in which two electrons are confined to the surface of a sphere and interact via a genuine long-range Coulomb operator.…

Chemical Physics · Physics 2018-07-23 Pierre-François Loos , Pina Romaniello , J. A. Berger

Finite size effects alter not only the energy levels of small systems, but can also lead to new effective interactions within these systems. Here the problem of low energy quantum scattering by a spherically symmetric short range potential…

Quantum Physics · Physics 2009-11-11 J. I. Kim , J. Schmiedmayer , P. Schmelcher

We formulate a semiclassical theory for electron transport in open quantum systems with electron-phonon interactions adequate for situations when the system's phonon dynamics is comparable with the electron transport timescale. Starting…

Mesoscale and Nanoscale Physics · Physics 2025-08-26 Maicol A. Ochoa

Within unitary transformed Hamiltonian of Fr\"ohlich type, using the Green's functions method, exact renormalized energy spectrum of quasiparticle strongly interacting with two-mode polarization phonons is obtained at $T=0$ K in a model of…

Soft Condensed Matter · Physics 2023-03-09 M. V. Tkach , Ju. O. Seti , O. M. Voitsekhivska , V. V. Hutiv

We calculate the local Green function for a quantum-mechanical particle with hopping between nearest and next-nearest neighbors on the Bethe lattice, where the on-site energies may alternate on sublattices. For infinite connectivity the…

An effective action approach to Kohn-Sham density functional theory is used to illustrate how the exact Green's function can be calculated in terms of the Kohn-Sham Green's function. An example based on Skyrme energy functionals shows that…

Nuclear Theory · Physics 2007-05-23 Anirban Bhattacharyya , R. J. Furnstahl

Isolating the singularity in the Green's function solution of the inhomogeneous, differential equation for the Stermheimer function of a layered electron gas, permits the construction of an approximate solution of the Stermheimer function…

Strongly Correlated Electrons · Physics 2017-01-17 D. E. Beck

The spectral function of one hole in different magnetic states of the one-dimensional t-J model including three-site term and frustration $J^{\prime}$ is studied. In the strong coupling limit $J \to 0$ (corresponding to $U \to \infty$ of…

Strongly Correlated Electrons · Physics 2009-10-31 R. Hayn , R. O. Kuzian

We compute the DC and the optical conductivity of graphene for finite values of the chemical potential by taking into account the effect of disorder, due to mid-gap states (unitary scatterers) and charged impurities, and the effect of both…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 T. Stauber , N. M. R. Peres , A. H. Castro Neto

The basic mathematical properties of Green's functions used in statistical mechanics as well as the equations defining these functions and the techniques of solving these equations are reviewed. An approach is presented called the…

Statistical Mechanics · Physics 2007-05-23 V. I. Yukalov

Homogeneous nuclear matter is investigated using the \textit{ab initio} Self-consistent Green's function (SCGF) approach with nuclear interactions based on chiral effective field theory. The employed method, which combines the…

Nuclear Theory · Physics 2026-02-13 Francesco Marino , Carlo Barbieri , Gianluca Colò , Weiguang Jiang , Samuel J. Novario

One-particle Green's function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green's functions directly provide electronic energies and one-particle properties, such as dipole moment. However,…

Chemical Physics · Physics 2021-08-24 Pavel Pokhilko , Sergei Iskakov , Chia-Nan Yeh , Dominika Zgid