22 citations · 22 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2018
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…