4 citations · 4 across the 2 of their papers we have counts for
3 papers · 1 filter
Reduction of finite-size effects for second-order Møller-Plesset perturbation theory with singularity subtraction
Stephen Jon Quiton, Juan D. F. Pottecher, Martin Head-Gordon +1
Second-order Moller-Plesset perturbation theory (MP2) provides accurate correlation energies for periodic systems but suffers from finite-size errors (FSEs) that have inverse volum…
Optimized auxiliary functions for robust mitigation of finite-size errors in periodic hybrid density functional theory
Stephen Jon Quiton, Juan D. F. Pottecher, Xin Xing +2
When calculating properties of periodic systems at the thermodynamic limit (TDL), the dominant source of finite size error (FSE) arises from the long-range Coulomb interaction, and…
The Staggered Mesh Method: Accurate Exact Exchange towards the Thermodynamic Limit for Solids
Stephen Jon Quiton, Hamlin Wu, Xin Xing +2
In periodic systems, the Hartree-Fock (HF) exchange energy exhibits the slowest convergence of all HF energy components as the system size approaches the thermodynamic limit. We de…