Related papers: Ab-initio theory of superconductivity - I: Density…
How the superconductivity in unconventional superconductors emerges from the diverse mother normal states is still a big puzzle. Whatever the mother normal states are the superconductivity is {\em normal} with BCS-like behaviours of the…
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…
Starting from exact eigenstates for a symmetric ring, we derive a low-energy effective generalized Anderson Hamiltonian which contains two spin doublets with opposite momenta and a singlet for the neutral molecule. For benzene, the singlet…
I review the quantum theory of the electron moving in a random environment. First, the quantum mechanics of individual particles scattered on a random potential is discussed. The quantum-mechanical description is extended to many-body…
Two of the most widely used electronic structure theory methods, namely Hartree-Fock and Kohn-Sham density functional theory, both requires the iterative solution of a set of Schr\"odinger-like equations. The speed of convergence of such…
The electron transport properties of a four-terminal molecular device are computed within the framework of density functional theory and non-equilibrium Keldysh theory. The additional two terminals lead to new properties, including a…
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…
Recent achievements in experiments with cold fermionic atoms indicate the potential for developing novel superconducting devices which may be operated in a wide range of regimes, at a level of precision previously not available. Unlike…
We consider a general problem of a Josephson contact between two multiband superconductors with coexisting superconducting and magnetic phases. As a particular example, we use the quasiclassical theory of superconductivity to study the…
In this paper, a phenomenological theory of saturated ferromagnetoelastic conductors is established using a multi-continuum model and the classical laws of mechanics, thermodynamics and electromagnetics. The theory is nonlinear and is valid…
A detailed analysis is given of the effects of common and recurring approximations used in conventional superconductivity theories on the condensation energy values, whose magnitudes are notoriously smaller than those of other energies as…
We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wavefunction in the…
The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…
We consider a superfluid state in a two-component gas of fermionic atoms with equal densities and unequal masses in the BCS limit. We develop a perturbation theory along the lines proposed by Gorkov and Melik-Barkhudarov and find that for a…
We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…
More than a century after discovery, the theory of conventional superconductivity remains incomplete. While the importance of electron-phonon coupling is understood, a controlled first-principles treatment of Coulomb interaction is lacking.…
Elemental good metals, including noble metals (Cu, Ag, Au) and several $s$-block elements, do not exhibit superconductivity in bulk at ambient pressure, mainly due to weak electron-phonon coupling that cannot overcome Coulomb repulsion.…
We present a theoretical framework to describe polarons from first principles within a many-body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we derive a self-consistent Dyson equation in which the…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
The Hohenberg-Kohn theorem and the Kohn-Sham equations, which are at the basis of the Density Functional Theory, are reformulated in terms of a particular many-body density, which is translational invariant and therefore is relevant for…