Related papers: Justifying quasiparticle self-consistent schemes v…
The algorithm to calculate the generating function for the number of ``skeleton'' diagrams for the irreducible self-energy and vertex parts is derived for the problems with Gaussian random fields. We find an exact recurrence relation…
Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielectric constants E(Slab) from the differences of the slopes of…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
We aim to provide engineers with an introduction to the non-equilibrium Green's function (NEGF) approach, which provides a powerful conceptual tool and a practical analysis method to treat small electronic devices quantum mechanically and…
It has been shown that the Schwinger-Dyson equations for non-Hermitian theories implicitly include the Hilbert-space metric. Approximate Green functions for such theories may thus be obtained, without having to evaluate the metric…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
We formulate the theory of an extremely correlated electron liquid, generalizing the standard Fermi liquid. This quantum liquid has specific signatures in various physical properties, such as the Fermi surface volume and the narrowing of…
We consider a small interacting sample coupled to several non-interacting leads. Initially, the system is at thermal equilibrium. At some instant $t_0$ the system is set into the so called partition-free transport scenario by turning on a…
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here…
In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle states, or orbitals, which should be one of the most important…
We present a Kernel Ridge Regression (KRR) based supervised learning method combined with Genetic Algorithms (GAs) for the calculation of quasiparticle energies within Many-Body Green's Functions Theory. These energies representing…
The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…
A new method for non-perturbative calculation of Green functions in quantum mechanics and quantum field theory is proposed. The method is based on an approximation of Schwinger-Dyson equation for the generating functional by exactly soluble…
Calculations of ground-state and excited-state properties of materials have been one of the major goals of condensed matter physics. Ground-state properties of solids have been extensively investigated for several decades within the…
In a functional approach to QCD the infrared behaviour of Landau gauge Green functions is investigated. It can be proven that the ghost Dyson-Schwinger equation implies the Gribov-Zwanziger horizon condition. Its relation to the Kugo-Ojima…
We present a comprehensive pedagogical discussion of a family of models describing the propagation of a single particle in a multicomponent non-Markovian Gaussian random field. We report some exact results for single-particle Green's…
We present a systematic comparison of the real-time Dyson expansion (RTDE) with established non-equilibrium Green's function approaches for simulating driven, interacting quantum systems. Focusing on density matrix dynamics,…
We develop a numerically exact scheme for resumming certain classes of Feynman diagrams in the self-consistent perturbation expansion for the electron and magnon self-energies in the nonequilibrium Green function formalism applied to a…
We present a microscopic theory of bipolar quantum well structures in the photovoltaic regime, based on the non-equilibrium Green's function formalism for a multi band tight binding Hamiltonian. The quantum kinetic equations for the single…