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cond-mat1999
Decay properties of the density matrix and Wannier functions for interacting systems
S. Goedecker, E. Koch
For non-interacting electrons the one-particle density matrix and the related Wannier functions characterize a material as insulating or metallic. Introducing many-body Wannier fun…
cond-mat1998
Hyper-sparsity of the density matrix in a wavelet representation
S. Goedecker, O. V. Ivanov
O(N) methods are based on the decay properties of the density matrix in real space, an effect sometimes refered to as near-sightedness. We show, that in addition to this near-sight…
cond-mat1998
Electronic Structure Methods Exhibiting Linear Scaling of the Computational Effort with Respect to the Size of the System
Stefan Goedecker
Methods exhibiting linear scaling with respect to the size of the system, so called O(N) methods, are an essential tool for the calculation of the electronic structure of large sys…