Diagrammatic Monte Carlo stochastically sums the divergent virtual-positronium ladder series in positron-molecule self-energies, reproducing exact-diagonalisation binding energies for LiH.
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2026 2representative citing papers
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.
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Diagrammatic Monte Carlo for positron-molecule many-body theory
Diagrammatic Monte Carlo stochastically sums the divergent virtual-positronium ladder series in positron-molecule self-energies, reproducing exact-diagonalisation binding energies for 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.