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cond-mat.mtrl-sci2025
Optical spectra of small silver clusters with the Bethe-Salpeter formalism: a Reassessment
Xavier Blase, Ivan Duchemin
We study the optical absorption spectra of small Ag_n (n=2,4,6,8) clusters using the Bethe-Salpeter equation (BSE) formalism with a Hamiltonian built from GW quasiparticle energies…
cond-mat.mtrl-sci2024
Joint Approximate Diagonalization approach to Quasiparticle Self-Consistent calculations
Ivan Duchemin, Xavier Blase
We introduce an alternative route to quasiparticle self-consistent calculations () on the basis of a Joint Approximate Diagonalization of the one-body Gree…
cond-mat.mtrl-sci2024
Polarizable Continuum Models and Green's Function Formalism: On the Dynamics of the Solvent Electrons
Ivan Duchemin, David Amblard, Xavier Blase
The many-body formalism, for the calculation of ionization potentials or electronic affinities, relies on the frequency-dependent dielectric function built from the electronic…