Auxiliary basis sets to approximate Coulomb potentials

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

Engineering, Physics, Natural Sciences +7

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.3K citations · Full text

Numerical Analysis, Engineering, Ritz Variation Method +19

The continuous fast multipole method

Christopher A. White, Benny G. Johnson, Peter M. W. Gill et al. · Chemical Physics Letters · 1994 · 399 citations

Numerical Analysis, Method Of Fundamental Solution, Numerical Computation +5

A Kohn-Sham method involving the direct determination of the Coulomb potential on a numerical grid

Volker Termath, Nicholas C. Handy · Chemical Physics Letters · 1994 · 35 citations

Numerical Analysis, Numerical Method For Partial Differential Equation, Electrical Engineering +12