The authors solve a Jastrow-similarity-transformed electronic Hamiltonian with FCIQMC, achieving millihartree accuracy for first-row atoms in small basis sets.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2019 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Similarity transformation of the electronic Schr\"odinger equation via Jastrow factorisation
The authors solve a Jastrow-similarity-transformed electronic Hamiltonian with FCIQMC, achieving millihartree accuracy for first-row atoms in small basis sets.