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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-ph2021★ 10 cited
Staggered mesh method for correlation energy calculations of solids: Random phase approximation in direct ring coupled cluster doubles and adiabatic connection formalisms
Xin Xing, Lin Lin
We propose a staggered mesh method for correlation energy calculations of periodic systems under the random phase approximation (RPA), which generalizes the recently developed stag…