3 papers
quant-ph2025
Beyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers
Nikolay V. Tkachenko, Hang Ren, Wendy M. Billings +3
Near-term quantum devices require wavefunction ansätze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular elect…
physics.comp-ph2025
Performance of wave function and Green's functions based methods for non equilibrium many-body dynamics
Cian C. Reeves, Gaurav Harsha, Avijit Shee +5
Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the m…
physics.chem-ph2024
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…