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.
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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.