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physics.comp-ph2024
Fully dynamic G3W2 self-energy for finite systems: Formulas and benchmark
Fabien Bruneval, Arno Förster
Over the years, Hedin's self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules.…
physics.comp-ph2017★ 108 cited
An assessment of the low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach
Tonatiuh Rangel, Samia M. Hamed, Fabien Bruneval +1
The accurate prediction of singlet and triplet excitation energies is of significant fundamental interest and is critical for many applications. An area of intense research, most c…