24 citations · 65 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2018★ 19 cited
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…
physics.chem-ph2017★ 22 cited
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…
cond-mat.mtrl-sci2014★ 24 cited
Rigorous Error Bounds for Ewald Summation of Electrostatics at Planar Interfaces
Cong Pan, Zhonghan Hu
We present a rigorous Ewald summation formula to evaluate the electrostatic interactions in two-dimensionally periodic planar interfaces of three-dimensional systems. By rewriting…