3 papers
physics.comp-ph2026
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) for periodic systems suffers from finite-size errors (FSEs) that have inverse volume scaling due to the Coulomb kernel singul…
physics.comp-ph2025
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…
cond-mat.mtrl-sci2023
Negative refraction of Weyl phonons at twin quartz interfaces
Juan D. F. Pottecher, Gunnar F. Lange, Cameron Robey +2
In nature, -quartz crystals frequently form contact twins - two adjacent crystals with the same chemical structure but different crystallographic orientation, sharing a common l…