544 citations · 606 across the 7 of their papers we have counts for
3 papers · 1 filter
Rapid initial state preparation for the quantum simulation of strongly correlated molecules
Dominic W. Berry, Yu Tong, Tanuj Khattar +8
Studies on quantum algorithms for ground state energy estimation often assume perfect ground state preparation; however, in reality the initial state will have imperfect overlap wi…
A static quantum embedding scheme based on coupled cluster theory
Avijit Shee, Fabian M. Faulstich, Birgitta Whaley +2
We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To r…
The Staggered Mesh Method: Accurate Exact Exchange towards the Thermodynamic Limit for Solids
Stephen Jon Quiton, Hamlin Wu, Xin Xing +2
In periodic systems, the Hartree-Fock (HF) exchange energy exhibits the slowest convergence of all HF energy components as the system size approaches the thermodynamic limit. We de…