Dataset for the published article "Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids"
type: Dataset
description: The data contained in the zip file constitute the main research data of the article entitled as "Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids", published in the Journal of Chemical Physics as a Communication. In this article, a novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of classical liquids. This self-consistent scheme features a complicated dynamic local field correction functional and yields unprecedently accurate results for the static structure factor without featuring any adjustable or empirical parameters. In particular, the datasets contain the static structure factors of the paramagnetic electron liquid as computed by four schemes of the self-consistent dielectric formalism and as extracted from state-of-the-art path integral Monte Carlo (PIMC) simulations. The dielectric schemes of interest are all tailor-made for the strongly coupled regime of the finite temperature uniform electron fluid (UEF; also known as jellium or quantum one-component plasma). These are the newly proposed quantum version of the integral equation theory based scheme (qIET), the newly proposed quantum version of the hypernetted-chain based scheme (qHNC), the integral equation theory based scheme (IET) [1,2] and the hypernetted-chain based scheme (HNC) [3,4]. The static structure factors are provided for 20 paramagnetic UEF state points defined by (rs,Θ)={(50,0.50),(60,0.50),(70,0.50),(80,0.50),(90,0.50),(100,0.50),(100,0.75),(100,1.00),(100,2.00),(100,4.00),(110,0.50),(125,0.50),(125,0.75),(125,1.00),(125,1.50),(125,2.00),(150,0.50),(150,1.00),(200,0.50),(200,1.00)} where rs is the quantum coupling parameter and Θ is the degeneracy parameter. In the qIET, qHNC, IET and HNC datasets; the first column corresponds to the wavenumber normalized…
conditions of access: http://publications.europa.eu/resource/authority/access-right/PUBLIC
conditions of access: info:eu-repo/semantics/openAccess
creative work status: completed
  type: DefinedTerm
  in defined term set: http://publications.europa.eu/resource/authority/dataset-status
  term code: COMPLETED
creator: Tolias, Panagiotis
creator: Lucco Castello, Federico
creator: Dornheim, Tobias
date modified: 2023-04-11
date published: 2023-03-12
language: English
is part of: https://zenodo.org/communities/kth/
keywords: Physical Sciences
  type: DefinedTerm
  term code: 103
keywords: warm dense matter
keywords: strongly coupled electron liquid
keywords: quantum one-component plasma
keywords: self-consistent dielectric formalism
keywords: static structure factor
keywords: integral equation theory of liquids
license: https://creativecommons.org/licenses/by/4.0/
publisher: Royal Institute of Technology
version: 0

PropertyValue
property ID: DOI
value: 10.5281/zenodo.7726192

PropertyValue
property ID: URL
value: https://zenodo.org/records/7726192

PropertyValue
property ID: oai
value: oai:zenodo.org:7726192

Tolias, Panagiotis
type: Person
affiliation: Space and Plasma Physics—KTH Royal Institute of Technology
family name: Tolias
given name: Panagiotis

Lucco Castello, Federico
type: Person
affiliation: Space and Plasma Physics—KTH Royal Institute of Technology
family name: Lucco Castello
given name: Federico

Dornheim, Tobias
type: Person
affiliation: CASUS & HZDR
family name: Dornheim
given name: Tobias

English
type: Language
alternate name: eng

Royal Institute of Technology
type: Organization