3 papers
physics.chem-ph2025
Benchmarking distinguishable cluster methods to platinum standard CCSDT(Q) non covalent interaction energies in the A24 dataset
S. Lambie, C. Rickert, D. Usvyat +2
Recent disagreement between state-of-the-art quantum chemical methods, coupled cluster with single, double and perturbative triples excitations and fixed-node diffusion Monte Carlo…
cond-mat.str-el2025
Individual and cooperative superexchange enhancement in cuprates
Tonghuan Jiang, Nikolay A. Bogdanov, Ali Alavi +1
It is now widely accepted that the antiferromagnetic coupling within high temperature superconductors strongly exhibits a profound correlation with the upper limit of superconducti…
physics.chem-ph2024
On the applicability of CCSD(T) for dispersion interactions in large conjugated systems
S. Lambie, D. Kats, D. Usyvat +1
In light of the recent discrepancies reported between fixed node diffusion Monte Carlo and local natural orbital coupled cluster with single, double and perturbative triples (CCSD(…