36 citations · 143 across the 12 of their papers we have counts for
12 papers
Exact factorization of a many-body wavefunction beyond the electron-nuclear problem
Peter Schürger, Sara Giarrusso, Federica Agostini
This Review is devoted to the presentation of the exact factorization as a framework employed to study a variety of quantum-mechanical many-body problems. Since its original formul…
Excited-State-Specific Kohn-Sham Formalism for the Asymmetric Hubbard Dimer
Pierre-François Loos, Sara Giarrusso
Building on our recent study [https://doi.org/10.1021/acs.jpclett.3c02052, J. Phys. Chem. Lett. 14, 8780 (2023)], we explore the generalization of the ground-state Kohn-Sham (KS) f…
Modelling the Kohn-Sham potential for molecular dissociation with orbital-independent functionals: a proof of principle
Sara Giarrusso, Federica Agostini
We model the Hartree-exchange-correlation potential of Kohn-Sham density-functional theory adopting a novel strategy inspired by the strictly-correlated-electrons limit and relying…
Møller-Plesset and density-fixed adiabatic connections for a model diatomic system at different correlation regimes
Sara Giarrusso, Aurora Pribram-Jones
In recent years, Adiabatic Connection Interpolations developed within Density Functional Theory (DFT) have been found to provide satisfactory performances in the calculation of int…
Exact Excited-State Functionals of the Asymmetric Hubbard Dimer
Sara Giarrusso, Pierre-François Loos
The exact functionals associated with the (singlet) ground and the two singlet excited states of the asymmetric Hubbard dimer at half-filling are calculated using both Levy's const…
Comparing correlation components and approximations in Hartree-Fock and Kohn-Sham theories via an analytical test case study
Sara Giarrusso, Aurora Pribram-Jones
The asymmetric Hubbard dimer is a model that allows for explicit expressions of the Hartree-Fock (HF) and Kohn-Sham (KS) states as analytical functions of the external potential, $…