Locality and Sparsity of Ab Initio One-Particle Density Matrices and Localized Orbitals

This publication has 70 references indexed in Scilit:

• Sparsity of the Density Matrix in Kohn-Sham Density Functional Theory and an Assessment of Linear System-Size Scaling Methods
  Physical Review Letters, 1997
• Orbital-invariant second-order many-body perturbation theory on parallel computers: An approach for large molecules
  The Journal of Chemical Physics, 1995
• Tight-binding electronic-structure calculations and tight-binding molecular dynamics with localized orbitals
  Physical Review B, 1995
• Efficient Linear Scaling Algorithm for Tight-Binding Molecular Dynamics
  Physical Review Letters, 1994
• Local space approximation for configuration interaction and coupled cluster wave functions
  The Journal of Chemical Physics, 1986
• Decay rates for inverses of band matrices
  Mathematics of Computation, 1984
• Existence of the exponentially localised Wannier functions
  Communications in Mathematical Physics, 1983
• On the computation of electronic correlation energies within the local approach
  The Journal of Chemical Physics, 1980
• Analytical Properties ofn-Dimensional Energy Bands and Wannier Functions
  Physical Review B, 1964
• Energy Bands and Projection Operators in a Crystal: Analytic and Asymptotic Properties
  Physical Review B, 1964