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We consider the cumulant expansion of the PAM employing the hybridization as perturbation (Phys. Rev. B 50, 17933 (1994)), and we obtain formally exact one-electron Green's functions (GF). These GF contain effective cumulants that are as…
The Hartree-Fock-Rothaan equations are solved for He-like ions using the iterative self-consistent method. New complete and orthonormal sets of exponential-type orbitals are employed as the basis. These orbitals satisfy the orthonormality…
We present an ``orbital'' free density functional theory for computing the quantum ground state of atomic clusters and liquids. Our approach combines the Bohm hydrodynamical description of quantum mechanics with an information theoretical…
We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and…
There has been a surge of experimental effort recently in cooling trapped fermionic atoms to quantum degeneracy. By varying an external magnetic field, interactions between atoms can be made arbitrarily strong. When the S wave scattering…
We experimentally determine the equation of state of a laser cooled gas. By employing the Lane-Emden formalism, widely used in astrophysics, we derive the equilibrium atomic profiles in large magneto optical traps where the thermodynamic…
Density functional theory (DFT) is an exact alternative formulation of quantum mechanics, in which it is possible to calculate the total energy, the spin and the charge density of many-electron systems in the ground state. In practice, it…
We study a doubly-degenerate orbital model on a honeycomb attice. This is a model for orbital states in multiferroic layered iron oxides. The classical and quantum models are analyzed by spin-wave approximation, Monte-Carlo simulation and…
Relativistic effects strongly influence the electronic structures of the heaviest elements, thereby shaping their chemical and physical properties. Studying ion mobility within a noble gas environment reveals how the ion-neutral…
We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. Within the non equilibrium Green function…
The Green-function technique, termed the irreducible Green functions (IGF) method, that is a certain reformulation of the equation-of motion method for double-time temperature dependent Green functions is presented. This method was…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
Monte Carlo algorithms such as the Wang-Landau algorithm and similar `entropic' methods are able to accurately sample the density of states of model systems and thereby give access to thermal equilibrium properties at any temperature.…
The atom-by-atom characterization of quantum gases requires the development of novel measurement techniques. One particularly promising new technique demonstrated in recent experiments uses strong fluorescent laser scattering from neutral…
We present a self-consistent approach to the modeling of dense plasma mixtures in local thermodynamic equilibrium. In each electron configuration the nucleus is totally screened by electrons in a Wigner-Seitz sphere (ion-sphere model).…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
We report on a dynamical mean-field theoretical analysis of emerging low-temperature phases in multicomponent gases of fermionic alkaline-earth(-like) atoms in state-dependent optical lattices. Using the example of $^{173}$Yb atoms, we show…
An ensemble Green's function formalism, based on the von Neumann density matrix approach, to calculate one-electron excitation spectra of a many-electron system with degenerate ground states is proposed. A set of iterative equations for the…
The Green's function method has applications in several fields in Physics, from classical differential equations to quantum many-body problems. In the quantum context, Green's functions are correlation functions, from which it is possible…
We have developed a Green's function formalism based on the use of an overcomplete semicoherent basis of vortex states, specially devoted to the study of the Hamiltonian quantum dynamics of electrons at high magnetic fields and in an…