most citedDiagrammatic Monte Carlo for electronic correlation in molecules: high-order many-body perturbation theory with low scaling

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cond-mat.str-el2022★ 1 cited

Diagrammatic Monte Carlo for electronic correlation in molecules: high-order many-body perturbation theory with low scaling

G. Bighin, Q. P. Ho, M. Lemeshko +1

We present a low-scaling diagrammatic Monte Carlo approach to molecular correlation energies. Using combinatorial graph theory to encode many-body Hugenholtz diagrams, we sample th…