12 citations · 12 across the 4 of their papers we have counts for
4 papers
Delocalized Coupled-Cluster Theory for Polaron Structure and Dynamics
Hamlin Wu, Moritz K. A. Baumgarten, Tong Jiang +1
Polaron ground states and finite-temperature dynamics remain challenging to simulate because existing methods struggle to combine nonperturbative accuracy, systematic improvability…
A Scalable Translationally Invariant Variational Theory of Ab Initio Polarons
Moritz K. A. Baumgarten, Hamlin Wu, Tong Jiang +1
We introduce a scalable, translationally invariant variational theory for ab initio polarons that remains applicable across coupling regimes without resorting to supercells. Our ap…
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…
Generalization of one-center non orthogonal configuration interaction singles to open shell singlet reference states: Theory and application to valence-core pump-probe states in acetylacetone
Juan E. Arias-Martinez, Hamlin Wu, Martin Head-Gordon
We formulate a one-center non-orthogonal configuration interaction singles (1C-NOCIS) theory for the computation of core excited states of an initial singlet state with two unpaire…