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Diagrammatic Monte Carlo for positron-molecule many-body theory

Announce Type: new Abstract: A diagrammatic Monte Carlo evaluation of the ladder series contributions to the correlation potential (self energy) of a positron in the field of a molecule is presented. The $GW$@TDHF, virtual-positronium ($T$-matrix), and positron-hole Goldstone ladder series contributions are stochastically sampled order-by-order within the Tamm-Dancoff approximation, which is exact for the latter two classes, with Ces{\'a}ro-Riesz resummation used to extrapolate to infinite...

arXiv Physics 8d ago