Ab initio Gibbs ensemble Monte Carlo simulations of the liquid–vapor equilibrium and the critical point of sodium-Reference-Cited by-同舟云学术

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Ab initio Gibbs ensemble Monte Carlo simulations of the liquid–vapor equilibrium and the critical point of sodium

Published:2021 Issue:1 Volume:23 Page:311-319
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Zhi¹²³⁴^ORCID,Winisdoerffer Christophe⁵⁶³⁴,Soubiran François¹²³⁴⁷^ORCID,Caracas Razvan¹²³⁴⁸

Affiliation:

1. CNRS, École Normale Supérieure de Lyon

2. Laboratoire de Géologie de Lyon LGLTPE UMR 5276

3. Lyon 69364

4. France

5. Université de Lyon, École Normale Supérieure de Lyon

6. Centre de Recherche Astrophysique de Lyon UMR 5574

7. CEA

8. The Centre for Earth Evolution and Dynamics (CEED)

Abstract

We extend the application of the ab initio Gibbs ensemble method to the metallic system by including the contribution of excited electronic states.

Funder

H2020 European Research Council

H2020 Marie Skłodowska-Curie Actions

Norges Forskningsråd

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04158K

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3. Melt–crystal density crossover in a deep magma ocean

4. Formation of the giant planets

5. Understanding Jupiter's interior

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