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Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets

Chemical Physics Letters · 1997 · Vol. 281(1-3) · pp. 151–156
Dmitri N. Laikov
Advanced Chemical Physics StudiesMachine Learning in Materials ScienceCrystallography and molecular interactionsBasis (linear algebra)CoulombDensity functional theoryAtom (system on chip)Statistical physicsElectronCorrelationElectronic correlationComputational chemistryPhysics

Funding

  • Alexander von Humboldt-Stiftung
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References
Auxiliary basis sets to approximate Coulomb potentials
Chemical Physics Letters · 1995 · 2,884 citations
Integral approximations for LCAO-SCF calculations
Chemical Physics Letters · 1993 · 1,718 citations
Density-functional exchange-energy approximation with correct asymptotic behavior
Physical review. A, General physics · 1988 · 53,059 citations
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