Robust and efficient variational fitting of Fock exchange

Double asymptotic expansion of three-center electronic repulsion integrals

(2013) A. Alvarez-Ibarra et al.   JOURNAL OF CHEMICAL PHYSICS

An overlap fitted chain of spheres exchange method

(2011) Róbert Izsák et al.   JOURNAL OF CHEMICAL PHYSICS

An efficient linear scaling procedure for constructing localized orbitals of large molecules based on the one-particle density matrix

(2011) Yang Guo et al.   JOURNAL OF CHEMICAL PHYSICS

Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations

(2010) Manuel Guidon et al.   Journal of Chemical Theory and Computation

Variational fitting methods for electronic structure calculations

(2010) Brett I. Dunlap et al.   MOLECULAR PHYSICS

Comparison of two efficient approximate Hartee–Fock approaches

(2009) Simone Kossmann et al.   CHEMICAL PHYSICS LETTERS

A MinMax self-consistent-field approach for auxiliary density functional theory

(2009) Andreas M. Köster et al.   JOURNAL OF CHEMICAL PHYSICS

Robust and efficient density fitting

(2009) Víctor D. Domínguez-Soria et al.   JOURNAL OF CHEMICAL PHYSICS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Hartree-Fock exchange computed using the atomic resolution of the identity approximation

(2008) Alex Sodt et al.   JOURNAL OF CHEMICAL PHYSICS

Variational and robust density fitting of four-center two-electron integrals in local metrics

(2008) Simen Reine et al.   JOURNAL OF CHEMICAL PHYSICS