Parallel Density Functional Theory Energies using the Fourier Transform Coulomb Method

This publication has 23 references indexed in Scilit:

• Parallel stored‐integral and semidirect Hartree–Fock and DFT methods with data compression
  Journal of Computational Chemistry, 2002
• All-electron ab-initio molecular dynamics
  Physical Chemistry Chemical Physics, 2000
• The continuous fast multipole method
  Chemical Physics Letters, 1994
• The performance of a family of density functional methods
  The Journal of Chemical Physics, 1993
• Quadrature schemes for integrals of density functional theory
  Molecular Physics, 1993
• Three-center Gaussian-type-orbital integral evaluation using solid spherical harmonics
  Physical Review A, 1990
• New algorithm for the optimization of geometries in local density functional theory
  Chemical Physics Letters, 1990
• Electronic structure calculations on workstation computers: The program system turbomole
  Chemical Physics Letters, 1989
• Self-Consistent Equations Including Exchange and Correlation Effects
  Physical Review B, 1965
• A Simplification of the Hartree-Fock Method
  Physical Review B, 1951