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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…
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,…
A non-perturbative scheme, based on the functional generalization of the Callan-Symanzik equation is developed to treat the Coulomb interaction in an electron gas. The one-particle irreducible vertex functions are shown to satisfy an…
Few-body problems involving Coulomb or gravitational interactions between pairs of particles, whether in classical or quantum physics, are generally handled through a standard multipole expansion of the two-body potentials. We discuss an…
A method is given to obtain the Green's function for the Poisson equation in any arbitrary integer dimension under periodic boundary conditions. We obtain recursion relations which relate the solution in d-dimensional space to that in…
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the…
We study theoretically the energy and spatially resolved local density of states (LDoS) in graphene at high perpendicular magnetic field. For this purpose, we extend from the Schr\"odinger to the Dirac case a semicoherent-state…
In this report, we describe a recent development in a Fermi liquid theory for the Kondo effect in quantum dots under a finite bias voltage $V$. Applying the microscopic theory of Yamada and Yosida to a nonequilibrium steady state, we derive…
We study the Kondo effect of a quantum dot placed in a complex mesoscopic structure. Assuming that electronic interactions are taking place solely on the dot, and focusing on the infinite Hubbard interaction limit, we use a decoupling…
A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…
We study numerically the dynamical system of a two-electron atom with the Darwin interaction as a model to investigate scale-dependent effects of the relativistic action-at-a-distance electrodynamics. This dynamical system consists of a…
A representation of polymer self-consistent field theory equivalent to quantum density functional theory is given in terms of non-orthogonal basis sets. Molecular integrals and self-consistent equations for spherically symmetric systems…
We consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength B of the external field, the only electric multipole moments, which are induced by the perturbation in…
Understanding the effects of nonequilibrium on strongly interacting quantum systems is a challenging problem in condensed matter physics. In dimensions greater than one, interacting electrons can often be understood within Fermi-liquid…
The electron-electron mutual Coulomb repulsion energy density functional satisfies an equation that links functionals and functional derivatives at N-electron and (N-1)-electron densities for densities determined from the same adiabatic…
The electron repulsion integrals over the Slater-type orbitals with non-integer principal quantum numbers are considered. These integrals are useful in both non-relativistic and relativistic calculations of many-electron systems. They…
We show that the fermion, in the context of a system that comprises many such entities - which, by virtue of the Pauli exclusion principle, possesses a Fermi surface at zero temperature - may itself be thought of as a collection of…
Spin-dependent transport through an interacting single-level quantum dot coupled to ferromagnetic leads with non-collinear magnetizations is analyzed theoretically. The transport properties and average spin of the dot are investigated…
We prove the existence of the exact density-functional theory formalism for open electronic systems, and develop subsequently an exact time-dependent density-functional theory (TDDFT) formulation for the dynamic response. The TDDFT…
We present a real-time second-order Green's function (GF) method for computing excited states in molecules and nanostructures, with a computational scaling of $O(N_{\rm e}^3$), where $N_{\rm e}$ is the number of electrons. The cubic scaling…