3 papers
physics.chem-ph2026
A CPD-enabled low-scaling environment solver in a coupled cluster based static quantum embedding theory
Karl Pierce, Muhammad Talha Aziz, Avijit Shee +1
We incorporate a canonical polyadic decomposition (CPD) based low-level solver as a means to accelerate the environment-level solver for the recently developed MPCC embedding frame…
physics.chem-ph2026
Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory
Avijit Shee, Fabian M. Faulstich, K. Birgitta Whaley +2
We incorporate a solver for the fragment problem with accuracy beyond coupled cluster singles and doubles (CCSD) into the previously proposed static embedding framework, MPCC. To t…
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…