Related papers: Faddeev Random Phase Approximation applied to mole…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
In the study of chaotic behaviour of systems of many hard spheres, Lyapunov exponents of small absolute value exhibit interesting characteristics leading to speculations about connections to non-equilibrium statistical mechanics. Analytical…
Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation, which was sketched in Toulouse, Gerber, Jansen, Savin and…
Practical applications of fragment embedding and closely related local correlation methods critically depend on a judicious choice of a low-level theory to define the local embedding subspace and to capture long-range electrostatic and…
We establish a formal connection between the particle-particle (pp) random phase approximation (RPA) and the ladder channel of the coupled cluster doubles (CCD) equations. The relationship between RPA and CCD is best understood within a…
The collective excitation phenomena in atomic nuclei are studied in two different formulations of the Random Phase Approximation (RPA): (i) RPA based on correlated realistic nucleon-nucleon interactions constructed within the Unitary…
Simulation of stochastic spatially-extended systems is a challenging problem. The fundamental quantities in these models are individual entities such as molecules, cells, or animals, which move and react in a random manner. In big systems,…
The longitudinal and transverse nuclear responses to inclusive electron scattering reactions are analyzed within the Random Phase Approximation (RPA) framework. Several residual interactions are considered and it is shown that the exchange…
Within the area of applied harmonic analysis, various multiscale systems such as wavelets, ridgelets, curvelets, and shearlets have been introduced and successfully applied. The key property of each of those systems are their (optimal)…
The thesis deals with applications of fractional calculus to fractals. It introduces the notion of local fractional derivative (LFD). Fractal and multifractal functions have been studied in the thesis using LFD. New kind of equations are…
Double excitations are crucial to understanding numerous chemical, physical, and biological processes, but accurately predicting them remains a challenge. In this work, we explore the particle-particle random phase approximation (ppRPA) as…
The relative roles of multiple electron scattering and in-molecule free-space propagation in transmission electron microscopy of small molecules are discussed. It is argued that while multiple scattering tends to have only a moderate effect…
With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…
A computer code for quasiparticle random phase approximation-QRPA and projected quasiparticle random phase approximation-PQRPA models of nuclear structure is explained in details. An important application of the code consists in evaluating…
Recently, we introduced Relative Resolution as a hybrid formalism for fluid mixtures [1]. The essence of this approach is that it switches molecular resolution in terms or relative separation: While nearest neighbors are characterized by a…
Phase separation in the Hubbard model is investigated with the dynamical cluster approximation. We find that it is present in the paramagnetic solution for values of filling smaller than one and at finite temperature when a positive…
In many problems involving particle accelerators and relativistic plasmas, the accurate modeling of relativistic particle motion is essential for accurate physical predictions. Here, we extend a charge-conserving finite element time-domain…
Kohn-Sham density functional theory (DFT) is the standard method for first-principles calculations in computational chemistry and materials science. More accurate theories such as the random-phase approximation (RPA) are limited in…
Recently the damping of the collective charge (and spin) modes of interacting fermions in one spatial dimension was studied. It results from the nonlinear correction to the energy dispersion in the vicinity of the Fermi points. To…
A procedure for largely suppressing the numerical Cherenkov instability in finite difference time-domain (FDTD) particle-in-cell (PIC) simulations of cold, relativistic beams is derived, and residual growth rates computed and compared with…