A reformulation of the coupled perturbed self-consistent field equations entirely within a local atomic orbital density matrix-based scheme

This publication has 29 references indexed in Scilit:

• Linear scaling density functional calculations via the continuous fast multipole method
  Chemical Physics Letters, 1996
• A J matrix engine for density functional theory calculations
  The Journal of Chemical Physics, 1996
• Achieving Linear Scaling for the Electronic Quantum Coulomb Problem
  Science, 1996
• Auxiliary basis sets to approximate Coulomb potentials
  Chemical Physics Letters, 1995
• Orbital formulation for electronic-structure calculations with linear system-size scaling
  Physical Review B, 1993
• Molecular gradients and hessians implemented in density functional theory
  The Journal of Chemical Physics, 1993
• Ab initio methods for large systems
  International Journal of Quantum Chemistry, 1991
• New Methods For Electronic Structure Calculations on Large Molecules
  Annual Review of Physical Chemistry, 1991
• Direct analytic SCF second derivatives and electric field properties
  Chemical Physics, 1990
• Improvements on the direct SCF method
  Journal of Computational Chemistry, 1989