167 citations · 356 across the 4 of their papers we have counts for
4 papers
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…
CASSCF with Extremely Large Active Spaces using the Adaptive Sampling Configuration Interaction Method
Daniel S. Levine, Diptarka Hait, Norm M. Tubman +3
The complete active space self-consistent field (CASSCF) method is the principal approach employed for studying strongly correlated systems. However, exact CASSCF can only be perfo…
Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices
Norm M. Tubman, Carlos Mejuto-Zaera, Jeffrey M. Epstein +8
Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been…
An efficient deterministic perturbation theory for selected configuration interaction methods
Norm M. Tubman, Daniel S. Levine, Diptarka Hait +2
The interplay between advances in stochastic and deterministic algorithms has recently led to development of interesting new selected configuration interaction (SCI) methods for so…