New potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method

DOI10.1080/08927020500231817MaRDI QIDQ5697348zbMATH OpenOpenAlexFDO

Authors E. Bourasseau, Jean-Bernard Maillet, L. Mondelain, P.-M. Anglade

Publication date 17 October 2005

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927020500231817

zbMATH Keywords

charge equilibration methodelectrostatic potentialfluctuating chargesparameter optimization

Mathematics Subject Classification ID

Variational principles of physics (49S05) Molecular physics (81V55)

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