156 citations · 207 across the 5 of their papers we have counts for
5 papers
Benchmarking the Semi-Stochastic CC(P;Q) Approach for Singlet-Triplet Gaps in Biradicals
Arnab Chakraborty, Stephen H. Yuwono, J. Emiliano Deustua +2
We recently proposed a semi-stochastic approach to converging high-level coupled-cluster (CC) energetics, such as those obtained in the CC calculations with singles, doubles, and t…
High-Level Coupled-Cluster Energetics by Merging Moment Expansions with Selected Configuration Interaction
Karthik Gururangan, J. Emiliano Deustua, Jun Shen +1
Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2…
High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions: Further Details and Comparisons
J. Emiliano Deustua, Jun Shen, Piotr Piecuch
We recently proposed a novel approach to converging electronic energies equivalent to high-level coupled-cluster (CC) computations by combining the deterministic CC(;) formal…
Is Externally Corrected Coupled Cluster Always Better than the Underlying Truncated Configuration Interaction?
Ilias Magoulas, Karthik Gururangan, Piotr Piecuch +2
The short answer to the question in the title is 'no'. We identify classes of truncated configuration interaction (CI) wave functions for which the externally corrected coupled-clu…
The Ground State Electronic Energy of Benzene
Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21
We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standar…