Optimizing the Jastrow factor against CASSCF or FCIQMC references removes single-reference artifacts and yields chemically accurate transcorrelated energies for strongly correlated molecules.
A Mountaineering Strategy to Excited States: Highly Accurate Reference Energies and Benchmarks.Journal of Chemical Theory and Computation, 14(8):4360–4379, 2018
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
citation-role summary
baseline 1
citation-polarity summary
fields
physics.chem-ph 1years
2025 1verdicts
CONDITIONAL 1roles
baseline 1polarities
baseline 1representative citing papers
citing papers explorer
-
Transcorrelated Methods for Multireference Problems
Optimizing the Jastrow factor against CASSCF or FCIQMC references removes single-reference artifacts and yields chemically accurate transcorrelated energies for strongly correlated molecules.