The Density of States Method at Finite Chemical Potential
نویسندگان
چکیده
To clarify the phase diagram of QCD and thus the nature of matter under extreme conditions is one of the most interesting and fundamental tasks of high energy physics. Lattice QCD has been shown to provide important and reliable information from first principals on QCD at zero density. However, Lattice QCD at finite densities has been harmed by the complex action problem ever since its inception. For μ > 0 the determinant of the fermion matrix (detM) becomes complex. Standard Monte Carlo techniques using importance sampling are thus no longer applicable when calculating observables in the grand canonical ensemble according to the partition function
منابع مشابه
Electrostatic analysis of the charged surface in a solution via the finite element method: The Poisson-Boltzmann theory
Electrostatic potential as well as the local volume charge density are computed for a macromolecule by solving the Poisson-Boltzmann equation (PBE) using the finite element method (FEM). As a verification, our numerical results for a one dimensional PBE, which corresponds to an infinite-length macromolecule, are compared with the existing analytical solution and good agreement is found. As a ma...
متن کاملTheoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes
The effect of impurities on quantum chemical parameters of single-walled nanotubes (SWNTs) was studied using density functional theory (DFT). The density of states (DOS), Fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. It was found that this nanotube remains metallic after being doped with one nitrogen atom. The partial den...
متن کاملFirst-Principles Investigation of Density of States and Electron Density in Wurtzite In0.5Ga0.5 N Alloys with GGA-PBEsol Method
In present work, we have calculated the electronic properties including density of states and electron density for GaN, InN and InxGa1-xN in wurtzite phase for x=0.5. The study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. In this report we concluded that InxGa1-xN ba...
متن کاملTheoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study
The N-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. The quantum theoretical calculations for two crystal structures of N-(2-benzoyl-phenyl) oxalyl (compounds I and II) were performed by Density Functional Theory (B3LYP method and 6-311+G* basis set). From the optimized structures, geometric paramet...
متن کاملCalculation for Energy of (111) Surfaces of Palladium in Tight Binding Model
In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...
متن کاملSteric effects on the Singlet–Triplet Energy Gaps of Seven Membered Ring silylenes, R2C6H6Si
With the aim of recognizing the steric effects on the silylenic R2C6H6Si structures, DFT calculationsare carried out on 8 structures of R2C6H6Si (where R is hydrogen (H), methyl (Me), isopropyl (i-pro),and tert-butyl (tert-Bu)). These species are at either triplet (t) or singlet (s) states. Singlet–tripletenergy separations ( Me (20.32) > t-Bu (15.92).all singlet states of R2C6H6Si, are more st...
متن کامل