2 citations · 2 across the 1 of their papers we have counts for
4 papers
Minima hopping: Searching for the global minimum of the potential energy surface of complex molecular systems without invoking thermodynamics
Stefan Goedecker
A method is presented that can find the global minimum of very complex condensed matter systems. It is based on the simple principle of exploring the configurational space as fast…
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…
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…
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…