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physics.chem-ph2023★ 19 cited
Robust formulation of Wick's theorem for computing matrix elements between Hartree-Fock-Bogoliubov wavefunctions
Guo P. Chen, Gustavo E. Scuseria
Numerical difficulties associated with computing matrix elements of operators between Hartree-Fock-Bogoliubov (HFB) wavefunctions have plagued the development of HFB-based many-bod…
physics.chem-ph2021★ 22 cited
Construction of linearly independent non-orthogonal AGP states
Rishab Dutta, Guo P. Chen, Thomas M. Henderson +1
We show how to construct a linearly independent set of antisymmetrized geminal power (AGP) states, which allows us to rewrite our recently introduced geminal replacement models as…