Communication: Embedded fragment stochastic density functional theory

Self-Averaging Stochastic Kohn-Sham Density-Functional Theory

(2013) Roi Baer et al.   PHYSICAL REVIEW LETTERS

Subsystem density-functional theory

(2013) Christoph R. Jacob et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Computational studies of doped nanostructures

(2011) James R Chelikowsky et al.   REPORTS ON PROGRESS IN PHYSICS

Exact nonadditive kinetic potentials for embedded density functional theory

(2010) Jason D. Goodpaster et al.   JOURNAL OF CHEMICAL PHYSICS

Kohn−Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage

(2010) Elias Rudberg et al.   Journal of Chemical Theory and Computation

Partition density-functional theory

(2010) Peter Elliott et al.   PHYSICAL REVIEW A

Efficient low-order scaling method for large-scale electronic structure calculations with localized basis functions

(2010) Taisuke Ozaki   PHYSICAL REVIEW B

Recent developments of the quantum chemical cluster approach for modeling enzyme reactions

(2009) Per E. M. Siegbahn et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Towards a linear-scaling algorithm for electronic structure calculations with the tight-binding Korringa–Kohn–Rostoker Green function method

(2008) Rudolf Zeller   JOURNAL OF PHYSICS-CONDENSED MATTER

Linear-scaling three-dimensional fragment method for large-scale electronic structure calculations

(2008) Lin-Wang Wang et al.   PHYSICAL REVIEW B