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cond-mat.mtrl-sci2023★ 6 cited
On Green's function embedding using sum-over-pole representations
Andrea Ferretti, Tommaso Chiarotti, Nicola Marzari
In Green's function theory, the total energy of an interacting many-electron system can be expressed in a variational form using the Klein or Luttinger-Ward functionals. Green's fu…
cond-mat.mtrl-sci2023
Energies and spectra of solids from the algorithmic inversion of dynamical Hubbard functionals
Tommaso Chiarotti, Andrea Ferretti, Nicola Marzari
Energy functionals of the Green's function can simultaneously provide spectral and thermodynamic properties of interacting electrons' systems. Though powerful in principle, these f…