The journal of physical chemistry. B
Nonlocal Dielectric Properties of Water: The Role of Electronic Delocalization.
Darka Labavic, Florian N Brünig, Roland R Netz, Marie-Laure Bocquet, Hélène Berthoumieux
Published: 202510.1021/acs.jpcb.5c03588
Abstract
The nonlocal dielectric properties of liquid water are studied in the context of ab initio molecular dynamics (AIMD) simulations based on the density functional theory. We calculate the dielectric response from the charge structure factor of the liqu…
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