30 citations · 137 across the 8 of their papers we have counts for
4 papers · 1 filter
The Symmetry-Preserving Mean Field Condition for Electrostatic Correlations in Bulk
Zhonghan Hu
Accurate simulations of a condensed system of ions or polar molecules are concerned with proper handlings of the involved electrostatics. For such a Coulomb system at a charged pla…
Comment on "Macroscopic surface charges from microscopic simulations" [J. Chem. Phys. 153, 164709 (2020)]
Zhonghan Hu
Three comments on a recent paper entitled ``Macroscopic surface charges from microscopic simulations'' [J. Chem. Phys. 153, 164709 (2020)]
Analytic Theory of Finite-size Effects in Supercell Modelings of Charged Interfaces
Cong Pan, Shasha Yi, Zhonghan Hu
The Ewald3D sum with the tinfoil boundary condition (e3dtf) evaluates the electrostatic energy of a finite unit cell inside an infinitely periodic supercell. Although it has been u…
Note: A pairwise form of the Ewald sum for non-neutral systems
Shasha Yi, Cong Pan, Zhonghan Hu
Using an example of a mixed discrete-continuum representation of charges under the periodic boundary condition, we show that the exact pairwise form of the Ewald sum, which is well…