1 citations · 1 across the 5 of their papers we have counts for
5 papers
Nodal error behind discrepancies between coupled cluster and diffusion Monte Carlo in hydrogen-bonded systems
S. Lambie, P. López-Ríos, D. Kats +1
The small magnitude and long-range character of non-covalent interactions pose a significant challenge for computational quantum chemical and electronic-structure methods alike. St…
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…
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…
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(…
X marks the spot: accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data
Seyed Mohammadreza Hosseini, Ali Alavi, Pablo Lopez Rios
We explore the application of an extrapolative method that yields very accurate total and relative energies from variational and diffusion quantum Monte Carlo (VMC and DMC) results…