no code implementations • 19 Feb 2021 • Athanasios Papastathopoulos-Katsaros, Carlos A. Jiménez-Hoyos, Thomas M. Henderson, Gustavo E. Scuseria
We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for describing the ground state of strongly-correlated spin systems.
Strongly Correlated Electrons Chemical Physics
no code implementations • 22 Jan 2021 • Rishab Dutta, Guo P. Chen, Thomas M. Henderson, Gustavo E. Scuseria
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 linear combinations of non-orthogonal AGPs.
Chemical Physics Strongly Correlated Electrons
1 code implementation • 8 Aug 2017 • Roman Schutski, Jinmo Zhao, Thomas M. Henderson, Gustavo E. Scuseria
We derive and implement a new way of solving coupled cluster equations with lower computational scaling.
Chemical Physics Strongly Correlated Electrons