544 citations · 606 across the 7 of their papers we have counts for
7 papers
A quadratic Grassmann manifold optimization problem arising from quantum embedding methods
Thomas Ayral, Eric Cancès, Fabian M. Faulstich +2
This article presents a mathematical analysis and numerical strategies for solving the optimization problem of minimizing the quadratic function $J(P) = \text{Tr}(BP)- \frac{1}{2}…
Optimized auxiliary functions for robust mitigation of finite-size errors in periodic hybrid density functional theory
Stephen Jon Quiton, Juan D. F. Pottecher, Xin Xing +2
When calculating properties of periodic systems at the thermodynamic limit (TDL), the dominant source of finite size error (FSE) arises from the long-range Coulomb interaction, and…
Dissipative Preparation of Many-Body Quantum States: Towards Practical Quantum Advantage
Lin Lin
While dissipation has traditionally been viewed as an obstacle to quantum coherence, it is increasingly recognized as a powerful computational resource. Dissipative protocols can p…
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…