23 citations · 73 across the 19 of their papers we have counts for
26 papers
A robust and efficient solver for coupled cluster equations
Chanaka D. M. Mudiyanselage, Kangbo Li, Fabian M. Faulstich
The coupled-cluster (CC) equations are most frequently solved via fixed-point (FP) iterations. However, when formulated in a non-canonical gauge, as in local correlation CC, the FP…
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}…
On the Coupled Cluster Doubles Truncation Variety of Four Electrons
Fabian M. Faulstich, Vincenzo Galgano, Elke Neuhaus +1
We extend recent algebro-geometric results for coupled cluster theory of quantum many-body systems to the truncation varieties arising from the doubles approximation (CCD), focusin…
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…
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…
Algebraic Geometry for Spin-Adapted Coupled Cluster Theory
Fabian M. Faulstich, Svala Sverrisdóttir
We develop and numerically analyze an algebraic-geometric framework for spin-adapted coupled-cluster (CC) theory. Since the electronic Hamiltonian is SU(2)-invariant, physically re…