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cond-mat.mtrl-sci2011
An O(N^3) implementation of Hedin's GW approximation
Peter Koval, Dietrich Foerster, Daniel Sanchez-Portal
Organic electronics is a rapidly developing technology. Typically, the molecules involved in organic electronics are made up of hundreds of atoms, prohibiting a theoretical descrip…
cond-mat.other2011★ 111 cited
An O(N^3) implementation of Hedin's GW approximation for molecules
Dietrich Foerster, Peter Koval, Daniel Sánchez-Portal
We describe an implementation of Hedin's GW approximation for molecules and clusters, the complexity of which scales as O(N^3) with the number of atoms. Our method is guided by two…