Related papers: Self-consistent approach for thermodynamics of a s…
Local-spin-density functional calculations may be affected by severe errors when applied to the study of magnetic and strongly-correlated materials. Some of these faults can be traced back to the presence of the spurious self-interaction in…
A fast method is developed for calculating the Random-Phase-Approximation (RPA) correlation energy for density functional theory. The correlation energy is given by a trace over a projected RPA response matrix and the trace is taken by a…
The random phase approximation (RPA) has emerged as a prominent first-principles method in material science, particularly to study the adsorption and chemisorption of small molecules on surfaces. However, its widespread application is…
Within the 1D Hubbard model linear closed chains with various numbers of sites are considered in Self Consistent Random Phase Approximation (SCRPA). Excellent results with a minimal numerical effort are obtained for 2+4n sites cases,…
The charging of insulating samples degrades the quality and complicates the interpretation of images in scanning electron microscopy and is important in other applications, such as particle detectors. In this paper we analyze this…
In this work we implement the self-consistent Thomas-Fermi-Poisson approach to a homogeneous two dimensional electron system (2DES). We compute the electrostatic potential produced inside a semiconductor structure by a quantum-point-contact…
We propose an efficient dual boson scheme, which extends the DMFT paradigm to collective excitations in correlated systems. The theory is fully self-consistent both on the one- and on the two-particle level, thus describing the formation of…
A theory of equilibrium states of electrons above a liquid helium surface in the presence of an external clamping field is built based on the first principles of quantum statistics for the system of many identical Fermi-particles. The…
In this paper we give a complete analysis of the phase transitions in the mean-field Blume-Emery-Griffiths lattice-spin model with respect to the canonical ensemble, showing both a second-order, continuous phase transition and a…
We present an approach for self-consistent calculations of the many-body Green function in transition metals. The distinguishing feature of our approach is the use of the one-site approximation and the self-consistent quasiparticle wave…
We show that one of the key characteristics of interacting one-dimensional electronic quantum systems, the separation of spin and charge, can be observed in a two-component system of bosonic ultracold atoms even close to a competing phase…
For strongly quantum-degenerate systems at finite temperatures, the fermion sign problem remains the major obstacle to first-principles simulations. In this work, we apply the recently proposed pseudo-fermion method - designed to overcome…
A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform…
Thermodynamic and flash equilibrium calculations are the cornerstones of simulation process calculations. The iterative approach, a widely used nonlinear problem-solving technique, relies on derivative calculations throughout the procedure…
We discuss the application of the static path plus random phase approximation (SPA+RPA) and the ensuing mean field+RPA treatment to the evaluation of entanglement in composite quantum systems at finite temperature. These methods involve…
A novel approximation scheme is proposed to describe the dynamics of the spin-boson problem. Being nonperturbative in the coupling strength nor in the tunneling frequency, it gives reliable results over a wide regime of temperatures and…
We introduce a new statistical and variational approach to the phase estimation algorithm (PEA). Unlike the traditional and iterative PEAs which return only an eigenphase estimate, the proposed method can determine any unknown…
Recently, dynamical mean field theory calculations have shown that kinks emerge in the real part of the self energy of strongly correlated metals close to the Fermi level. This gives rise to a similar behavior in the quasi-particle…
We use spin-density functional theory to obtain novel expressions for the charge and spin local-field factors of an electron gas in terms of its electron-pair structure factors. These expressions (i) satisfy the compressibility and spin…
In realistic disordered systems, such as the Edwards-Anderson (EA) spin glass, no order parameter, such as the Parisi overlap distribution, can be both translation-invariant and non-self-averaging. The standard mean-field picture of the EA…