Ab initio Gibbs ensemble Monte Carlo simulations of the liquid–vapor equilibrium and the critical point of sodium
نویسندگان
چکیده
We extend the application of ab initio Gibbs ensemble method to metallic system by including contribution excited electronic states.
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d0cp04158k