Diagrammatic Monte Carlo stochastically sums GW@TDHF, virtual-positronium, and positron-hole ladder series for positron-molecule correlation potential within Tamm-Dancoff approximation, with Cesàro-Riesz resummation and benchmark agreement on LiH.
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2026 2verdicts
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Ab initio many-body calculations predict positron binding energies in N-O-S-NH substituted five-membered heterocycles, with the positron localizing preferentially near N and S atoms depending on aromaticity and double bonds.
citing papers explorer
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Diagrammatic Monte Carlo for positron-molecule many-body theory
Diagrammatic Monte Carlo stochastically sums GW@TDHF, virtual-positronium, and positron-hole ladder series for positron-molecule correlation potential within Tamm-Dancoff approximation, with Cesàro-Riesz resummation and benchmark agreement on LiH.
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Many-body theory predictions of positron binding energies in five-membered heterocycles involving N, O, S and NH substituents
Ab initio many-body calculations predict positron binding energies in N-O-S-NH substituted five-membered heterocycles, with the positron localizing preferentially near N and S atoms depending on aromaticity and double bonds.