POS-CCSD computes positron binding energies with full electron–electron and electron–positron correlation, matching H−/F− benchmarks but leaving polyatomic results unconverged.
Faddeev random-phase approximation for molecules
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Coupled cluster theory for positron binding in anions and polyatomic molecules
POS-CCSD computes positron binding energies with full electron–electron and electron–positron correlation, matching H−/F− benchmarks but leaving polyatomic results unconverged.