Author

G. Scuseria

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Preprint Sep 2026

Bogoliubov coupled-cluster theory for su(2) Hamiltonians

Coupled-cluster theory is the method of choice for weakly correlated systems, but in strongly correlated systems where the mean-field reference is qualitatively poor, it can break down badly. These failures can be ameliorated by using symmetry-broken mean-field references. For systems that spontaneously break spin symm...

Swarnamoye Ghosh, T. M. Henderson, G. Scuseria · 0 citations

Open access Aug 2026

The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.

We summarize a recent symposium on density functional theory for electronic structure in chemical applications and honor a key contributor, Axel Becke. The theory of electronic structure is entirely quantum mechanical and, in its original wave function form, runs into mathematical and numerical problems due to high spa...

S. Nordholm, E. Baerends, Kieron Burke et al. · Journal of Chemical Physics · 1 citation