相关论文: Level Density in the Complex Scaling Method

A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…

Iterative Green's function, based on cyclic reduction of block tridiagonal matrices, has been the ideal algorithm, through tight-binding models, to compute the surface density-of-states of semi-infinite topological electronic materials. In…

Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…

This work further develops the calculation of QED effects in a finite Gaussian basis. We focus on the non-linear ${\alpha}(Z{\alpha})^{n\ge 3}$ contribution to the vacuum polarization density, computing the energy shift of 1s$_{1/2}$ states…

We revisit the volume Green's function integral equation for modelling light scattering with discretization strategies as well as numerical integration recipes borrowed from finite element method. The merits of introducing finite element…

Spatially-explicit estimates of population density, together with appropriate estimates of uncertainty, are required in many management contexts. Density Surface Models (DSMs) are a two-stage approach for estimating spatially-varying…

The complex Langevin method (CLM) provides a promising way to perform the path integral with a complex action using a stochastic equation for complexified dynamical variables. It is known, however, that the method gives wrong results in…

Density level sets are mainly estimated using one of three methodologies: plug-in, excess mass, or a hybrid approach. The plug-in methods are based on replacing the unknown density by some nonparametric estimator, usually the kernel. Thus,…

An algorithm to calculate the density of states, based on the well-known Wang-Landau method, is introduced. Independent random walks are performed in different restricted ranges of energy, and the resultant density of states is modified by…

We introduce a layered random spin model, equivalent to the Generalized Random Energy Model (GREM). In analogy with diluted spin systems, a diluted GREM (DGREM) is introduced.It can be applied to calculate approximately thermodynamic…

In the framework of QCD sum rules one uses a scheme, allowing one to apply the conditions of both nonrelativistic heavy quark motion inside mesons and independence of nonsplitting nS-state density on the heavy quark flavours. In the leading…

We construct a continuum model for biological aggregations in which individuals experience long-range social attraction and short range dispersal. For the case of one spatial dimension, we study the steady states analytically and…

The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optical properties of molecules and nanoparticles immersed in a…

We explore the use of exact diagonalization methods for solving the self consistent equations of the cellular dynamical mean field theory (CDMFT) for the one dimensional regular and extended Hubbard models. We investigate the nature of the…

We have extended the multilevel summation (MLS) method, originally developed to evaluate long-range Coulombic interactions in molecular dynamics (MD) simulations [Skeel et al., J. Comput. Chem., 23, 673 (2002)], to handle dispersion…

A new method for predicting core level binding energies (CLBEs) is developed by both localizing the core-level states and describing the screening effect. CLBEs contain important information about the electronic structure, elemental…

Nucleosynthesis calculations require nuclear level densities for hundreds or even thousands of nuclides. Ideally one would like to constrain these level densities by microscopically motivated yet computationally cheap models. A statistical…

X-ray emission spectroscopy is a well-established technique used to study continuum lowering in dense plasmas. It relies on accurate atomic physics models to robustly reproduce high-resolution emission spectra, and depends on our ability to…

We apply the complex scaling method to the calculation of scattering phase shifts and extract the contributions of resonances in a phase shift and a cross section. The decomposition of the phase shift is shown to be useful to understand the…

The QCD equation of state at finite baryon density is studied in the framework of a Cluster Expansion Model (CEM), which is based on the fugacity expansion of the net baryon density. The CEM uses the two leading Fourier coefficients,…