3 papers
physics.chem-ph2020
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…
quant-ph2018
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…
cond-mat.str-el2018
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…