633 citations · 3.3k across the 59 of their papers we have counts for
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Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
Jacob M Wahlen-Strothman, Thomas M. Henderson, Matthew R. Hermes +5
Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is…
Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory
John P. Perdew, Weitao Yang, Kieron Burke +11
The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. But the gap in the band-structure of t…
Projected Hartree Fock Theory as a Polynomial Similarity Transformation Theory of Single Excitations
Yiheng Qiu, Thomas M. Henderson, Gustavo E. Scuseria
Spin-projected Hartree-Fock is introduced as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression…
Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction
James J. Shepherd, Thomas M. Henderson, Gustavo E. Scuseria
Over the past few years pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match re…