The dissection algorithm for the second-Born self-energy

Abstract

We describe an algorithm to efficiently compute the second-Born self-energy of many-body perurbation theory. The core idea consists in dissecting the set of all four-index Coulomb integrals into properly chosen subsets, thus avoiding to loop over those indices for which the Coulomb integrals are zero or negligible. The scaling properties of the algorithm with the number of basis functions is discussed. The computational gain is demonstrated in the case of one-particle Kohn-Sham basis for organic molecules.

6 pages, contribution to the proceedings of the workshop "Progress in Nonequilibrium Green's Function VII"

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Cited by in corpus (4)

• Achieving the Ultimate Scaling Limit for Nonequilibrium Green Functions Simulations
• A many-body approach to transport in quantum systems: From the transient regime to the stationary state
• Electronic transport in molecular junctions: The generalized Kadanoff-Baym ansatz with initial contact and correlations
• Efficient computation of the second-Born self-energy using tensor-contraction operations