We introduce an efficient method to simulate dynamics of interacting quantum impurity coupled non-interacting fermionic reservoirs. Viewing the as open system, we describe reservoirs by their Feynman-Vernon influence functionals (IF). The IF are represented matrix-product states in temporal domain, which enables computation for arbitrary interactions. apply our study quenches and transport Ande...

Restricted path integral Monte Carlo simulations are used to calculate the equilibrium properties of hydrogen in the density and temperature range of 9.83 x 10(-4)</=rho</=0.153 g cm(-3) and 5000</=T</=250 000 K. We test the accuracy of the pair density matrix and analyze the dependence on the system size, on the time step of the path integral, and on the type of nodal surface. We calculate the...

The acid-base equilibrium of lorazepam was studied by means of potentiometry andmultiwavelengths spectrophotometry. The stoichiometric equilibrium constants were determinedat 25 °C and constant ionic strength 0.1 mol L-1 (NaCl). The acidity constants pK1=1.58±0.05and pK2=11.67±0.07 were found by potentiometry, and pK1=1.54±0.02 and pK2=11.61±0.03 bymulti-wavelengths spectrophotometry. Potentiom...

We use replica exchange Monte Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N = 100), we find no sign of a pressure discontinuity near the location of dynamic glass s...

In this article we introduce a new case for an integral partition method called Feedback Guided Dynamic Integral Partition (FGDIP). The method generates iteratively a sequence of integral bounds by re-balancing the previous integral partition to achieve a better one. The convergence of the bounds is proven when the initial function does not vary too much. Experimental results show that the prop...

We study the equilibrium states for an energy functional with a parametric force field on a region of a surface. Consideration of free equilibrium states is based on Lyusternik - Schnirelman's and Skrypnik's variational methods. Consideration of equilibrium states under a constraint of geometrical character is based on an analog of Skrypnik's method, described in [P. Vyridis, {it Bifurcation in...

The characterization of water-based corrosion, geochemical, environmental and catalytic processes rely on the accurate depiction of stable phases in a water environment. The process is aided by Pourbaix diagrams, which map the equilibrium solid and solution phases under varying conditions of pH and electrochemical potential. Recently, metastable or possibly stable nanometric aqueous clusters ha...

Cables have always been under consideration as a structural element because of important features such as large strength to weight ratios and long spans. Their equilibrium analysis is an important issue in this regard. But this analysis involves highly nonlinear equations arising from large deformations and material nonlinearity. Different methods have been under use for numerical analysis of s...

in this study, we proposed a novel scheme for the implementation of the no-slip boundary condition in thelattice boltzmann method (lbm) . in detail , we have substituted the classical bounce-back idea by the direct immersed boundary specification . in this way we construct the equilibrium density functions in such a way that it feels the no-slip boundaries . therefore , in fact a kind of equili...

The problem ofgeneralized equilibrium problem is very general in the different subjects .Optimization problems, variational inequalities, Nash equilibrium problem and minimax problems are as special cases of generalized equilibrium problem. The purpose of this paper is to investigate the problem of approximating a common element of the set of generalized equilibrium problem, variational inequal...