1 citations · 1 across the 3 of their papers we have counts for
4 papers
Kohn-Sham density encoding rescues coupled cluster theory for strongly correlated molecules
Abdulrahman Y. Zamani, Barbaro Zulueta, Andrew M. Ricciuti +2
Coupled cluster theory with a Kohn-Sham reference (KS-CC) can dramatically outperform its Hartree-Fock counterpart for strongly correlated systems, but the origin of these improvem…
Diagrammatic Simplification of Linearized Coupled Cluster Theory
Kevin Carter-Fenk
Linearized Coupled Cluster Doubles (LinCCD) often provides near-singular energies in small-gap systems that exhibit static correlation. This has been attributed to the lack of quad…
Towards ab initio Realizations of Collins' Conjecture
Abdulrahman Y. Zamani, Kevin Carter-Fenk
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entro…
Optimal-Reference Excited State Methods: Static Correlation at Polynomial Cost with Single-Reference Coupled-Cluster Approaches
Sylvia J. Bintrim, Kevin Carter-Fenk
Accurate yet efficient modeling of chemical systems with pronounced static correlation in their excited states remains a significant challenge in quantum chemistry, as most electro…