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Updated: Jul 5, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

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对二极密度相互作用盘的模拟和积分方程理论

Elena Rufeil-Fiori1, Adolfo J Banchio1

  • 1Facultad de Matemática, Astronomía, Física y Computación, Universidad Nacional de Córdoba, Córdoba X5000HUA, Argentina and Instituto de Física Enrique Gaviola, CONICET-UNC, Córdoba X5000HUA, Argentina.

Physical review. E
|January 20, 2024
PubMed
概括

本研究评估了2D系统中二极相互作用的积分方程理论,发现修改过的超网链 (MHNC) 和变化的MHNC (VMHNC) 关闭表现良好,特别是在基于LB的参考系统中,以获得准确的对相关函数.

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