250 citations · 360 across the 9 of their papers we have counts for
Showing 2020Show all
2 papers · 1 filter
physics.chem-ph2020
Explicitly correlated coupled cluster method for accurate treatment of open-shell molecules with hundreds of atoms
Ashutosh Kumar, Frank Neese, Edward F. Valeev
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)) f…
quant-ph2020★ 71 cited
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
Mario Motta, Tanvi P. Gujarati, Julia E. Rice +6
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in…