Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems

Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

(2012) Jonathan E. Moussa et al.   JOURNAL OF CHEMICAL PHYSICS

Proton ordering in cubic ice and hexagonal ice; a potential new ice phase—XIc

(2011) Zamaan Raza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Analysis of numerical methods for evaluating the Fock exchange integral in a plane-wave basis

(2011) N. A. W. Holzwarth et al.   PHYSICAL REVIEW B

A scalable and accurate algorithm for the computation of Hartree–Fock exchange

(2010) Ivan Duchemin et al.   COMPUTER PHYSICS COMMUNICATIONS

Order-Nimplementation of exact exchange in extended insulating systems

(2009) Xifan Wu et al.   PHYSICAL REVIEW B

Efficient calculation of the exact exchange energy in periodic systems using a truncated Coulomb potential

(2008) James Spencer et al.   PHYSICAL REVIEW B