Transcorrelated calculations with pseudopotentials become chemically accurate when two nonlocal pseudopotential commutator corrections are included, and Jastrow optimization variance drops by roughly an order of magnitude.
Initiation of explicitly correlated Slater-type geminal theory
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Transcorrelated Theory with Pseudopotentials
Transcorrelated calculations with pseudopotentials become chemically accurate when two nonlocal pseudopotential commutator corrections are included, and Jastrow optimization variance drops by roughly an order of magnitude.