相关论文: Level Density in the Complex Scaling Method

Spectral properties of random Schr\"odinger operators are encoded in the average of products of Greens functions. For probability distributions with enough finite moments, the supersymmetric approach offers a useful dual representation.…

Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…

We extend the resummation method of Anselmi & Pietroni (2012) to compute the total density power spectrum in models of quintessence characterized by a vanishing speed of sound. For standard $\Lambda$CDM cosmologies, this resummation scheme…

The formation, growth, structure and cluster size distribution (CSD) properties in a two-dimensional system of particles interacting with Lennard-Jones (LJ) potential under controlled cooling condition have been studied using Monte-Carlo…

The numerical simulation of multiple scattering in dense ensembles is the mostly adopted solution to predict their complex optical response. While the scalar and vectorial light mediated interactions are accurately taken into account, the…

A new method to extract the density of partition function zeroes (a continuous function) from their distribution for finite lattices (a discrete data set) is presented. This allows direct determination of the order and strength of phase…

The combination of Markov state modeling (MSM) and molecular dynamics (MD) simulations has been shown in recent years to be a valuable approach to unravel the slow processes of molecular systems with increasing complexity. While the…

In Wang-Landau type algorithms, Monte-Carlo updates are performed with respect to the density of states, which is iteratively refined during simulations. The partition function and thermodynamic observables are then obtained by standard…

The main formalisms of partial level densities (PLD) used in preequilibrium nuclear reaction models, based on the equidistant spacing model (ESM), are considered. A collection of FORTRAN77 functions for PLD calculation by using 14…

We study the Landau level localization and scaling properties of a disordered two-dimensional electron gas in the presence of a strong external magnetic field. The impurities are treated as random distributed scattering centers with…

Two-dimensional electronic spectroscopy (2DES) is a powerful tool for investigating the dynamics of complex systems. However, analyzing the resulting spectra can be challenging, and thus may require the use of theoretical modeling…

We introduce COLOSS, a program designed to address the scattering problem using a bound-state technique known as complex scaling. In this method, the oscillatory boundary conditions of the wave function are transformed into exponentially…

By solving the Schr\"odinger equation one obtains the whole energy spectrum, both the bound and the continuum states. If the Hamiltonian depends on a set of parameters, these could be tuned to a transition from bound to continuum states.…

Complex Semi-Definite Programming (SDP) is introduced as a novel approach to phase retrieval enabled control of monochromatic light transmission through highly scattering media. In a simple optical setup, a spatial light modulator is used…

We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non uniform density profile. Results match quite well as long as the lengthscale of density…

We present an efficient Monte Carlo algorithm for determining the density of states which is based on the statistics of transition probabilities between states. By measuring the infinite temperature transition probabilities--that is, the…

An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…

The escalating scale and cost of Large Language Models (LLMs) training necessitate accurate pre-training prediction of downstream task performance for comprehensive understanding of scaling properties. This is challenged by: 1) the…

In the presence of the gravitational field, the energy density of matter no longer coincides with its mass density. A discrepancy exists, of course, also between the associated power spectra. Within the $\Lambda$CDM model, we derive a…

Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extract scattering amplitudes from the susceptibility are derived…