Literature DB >> 25167016

Path-integral Monte Carlo simulation of the warm dense homogeneous electron gas.

Ethan W Brown1, Bryan K Clark2, Jonathan L DuBois3, David M Ceperley4.   

Abstract

We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r(s) ≡ (3/4πn)(1/3)a(0)(-1) = 1.0-40.0 and Θ ≡ T/T(F) = 0.0625-8.0) using restricted path-integral Monte Carlo simulations. Precise energies, pair correlation functions, and structure factors are obtained. For all densities, we find a significant discrepancy between the ground state parametrized local density approximation and our results around T(F). These results can be used as a benchmark for developing finite-temperature density functionals, as well as input for orbital-free density function theory formulations.

Year:  2013        PMID: 25167016     DOI: 10.1103/PhysRevLett.110.146405

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems.

Authors:  Xiaoyao Ma; Randall W Hall; Frank Löffler; Karol Kowalski; Kiran Bhaskaran-Nair; Mark Jarrell; Juana Moreno
Journal:  J Chem Phys       Date:  2016-01-07       Impact factor: 3.488

2.  A viscous quantum hydrodynamics model based on dynamic density functional theory.

Authors:  Abdourahmane Diaw; Michael S Murillo
Journal:  Sci Rep       Date:  2017-11-10       Impact factor: 4.379

3.  Thermal excitation signals in the inhomogeneous warm dense electron gas.

Authors:  Zhandos A Moldabekov; Tobias Dornheim; Attila Cangi
Journal:  Sci Rep       Date:  2022-01-20       Impact factor: 4.379

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.