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Research Data Supporting "Computing the Kirkwood G-factor by Combining Constant Maxwell Electric Field and Electric Displacement Simulations: Application to the Dielectric Constant of Liquid Water"


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Type

Dataset

Change log

Authors

Zhang, Chao 
Hutter, Juerg 
Sprik, Michiel 

Description

This contains sample input files for constant Maxwell electric field and electric displacement simulations in CP2K (https://www.cp2k.org/).

Version

Software / Usage instructions

Plain text

Keywords

liquid water, dielectric constant, Kirkwood g factor

Publisher

University of Cambridge
Sponsorship
EPSRC (UK Car-Parrinello)
Deutsche Forschungsgemeinschaft (ZH 477/1-1)
Relationships
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