Related papers: Dynamical cluster approximation within an augmente…
We explore from a theoretical perspective the dynamical response of small water clusters, (H$_2$O)$_n$H$_3$O$^+$ with $n=1,2,3$, to a short laser pulse for various frequencies, from infrared (IR) to ultra-violet (UV) and intensities (from…
We assess the validity of various exchange-correlation functionals for computing the structural, vibrational, dielectric, and thermodynamical properties of materials in the framework of density-functional perturbation theory (DFPT). We…
A method, called the adaptive cluster approximation (ACA), for single-impurity Anderson models is proposed. It is based on reduced density-matrix functional theory, where the one-particle reduced density matrix is used as the basic…
Using stochastic conformal mappings we study the effects of anisotropic perturbations on diffusion limited aggregation (DLA) in two dimensions. The harmonic measure of the growth probability for DLA can be conformally mapped onto a constant…
We use cosmological smoothed-particle hydrodynamics (SPH) simulations of the Lambda cold dark matter (CDM) model to study the abundance of damped Lyman-alpha absorbers (DLAs) in the redshift range z=0-4.5. We compute the cumulative DLA…
Dynamical mean-field approximations are performed to study the phase transition of a pair contact process with diffusion in different spatial dimensions. The level of approximation is extended up to 18-site clusters for the one-dimensional…
The merger of density-functional theory in the local density approximation (LDA) and many-body dynamical mean field theory (DMFT) allows for an ab initio calculation of Ce including the inherent 4f electronic correlations. We solve the DMFT…
We extend the conformal mapping approach elaborated for the radial Diffusion Limited Aggregation model (DLA) to the cylindrical geometry. We introduce in particular a complex function which allows to grow a cylindrical cluster using as…
The relativistic random-phase approximation (RRPA) plus phonon-coupling (PC) model is applied in the analysis of E1 strength distributions in $^{208}$Pb and $^{132}$Sn, for which data on pygmy dipole resonances (PDR) have recently been…
For revDSD double hybrids, the G\"orling-Levy second-order perturbation theory component is an Achilles' Heel when applied to systems with significant near-degeneracy ("static") correlation. We have explored its replacement by the direct…
I present a critical overview of so-called "{\it ab initio}" DFT (density fuctional theory) based calculation schemes for the description of the electronic structure, energy spectrum, and optical response for strongly correlated 3$d$…
We examine a central approximation of the recently introduced Dynamical Cluster Approximation (DCA) by example of the Hubbard model. By both analytical and numerical means we study non-compact and compact contributions to the thermodynamic…
The LDA+DMFT (local density approximation combined with dynamical mean-field theory) computation scheme has been used to study spectral and magnetic properties of FeSi and Fe$_{1-x}$Co$_{x}$Si. Having compared different models we conclude…
We present a local density approximation (LDA) for one-dimensional (1D) systems interacting via the soft-Coulomb interaction based on quantum Monte-Carlo calculations. Results for the ground-state energies and ionization potentials of…
An implementation of full self-consistency over the electronic density in the DFT+DMFT framework on the basis of a plane wave-projector augmented wave (PAW) DFT code is presented. It allows for an accurate calculation of the total energy in…
Nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and have to be…
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated…
Annotating real-world LiDAR point clouds for use in intelligent autonomous systems is costly. To overcome this limitation, self-training-based Unsupervised Domain Adaptation (UDA) has been widely used to improve point cloud semantic…
Spectroscopy of QSO absorption lines provides essential observational input for the study of nucleosynthesis and chemical evolution of galaxies at high redshift. But new observations may indicate that present chemical abundance data are…
This paper studies clustering algorithms for dynamically evolving graphs $\{G_t\}$, in which new edges (and potential new vertices) are added into a graph, and the underlying cluster structure of the graph can gradually change. The paper…