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- Centre National de la Recherche ScientifiqueFR106 papers
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30 papers · 1 filter
Advantageous nearsightedness of many-body perturbation theory contrasted with Kohn-Sham density functional theory
Jack Wetherell, Matthew Hodgson, Leopold Talirz +1
For properties of interacting electron systems, Kohn-Sham (KS) theory is often favored over many-body perturbation theory (MBPT) owing to its low computational cost. However, the e…
A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW +BSE and self-consistent RPA
Valerio Olevano, Julien Toulouse, Peter Schuck
A formally exact Bethe-Salpeter-like equation for the linear-response function is introduced with a kernel which depends only on the one frequency of the applied field. This is in…
Ground-state correlation energy of beryllium dimer by the Bethe-Salpeter equation
Jing Li, Ivan Duchemin, Xavier Blase +1
Since the '30s the interatomic potential of the beryllium dimer Be has been both an experimental and a theoretical challenge. Calculating the ground-state correlation energy of…
Ab initio Study of Luminescence in Ce-doped LuSiO: The Role of Oxygen Vacancies on Emission Color and Thermal Quenching Behavior
Yongchao Jia, Anna Miglio, Masayoshi Mikami +1
We study from first principles the luminescence of LuSiO:Ce (LSO:Ce), a scintillator widely used in medical imaging applications, and establish the crucial role of o…
A simple position operator for periodic systems
Emilia Aragao Valença, Diego Moreno, Stefano Battaglia +5
We present a position operator that is compatible with periodic boundary conditions (PBC). It is a one-body operator that can be applied in calculations of correlated materials by…
Large birefringence and linear dichroism in TiS3 nanosheets
Nikos Papadopoulos, Riccardo Frisenda, Robert Biele +7
TiS3 nanosheets have proven to be promising candidates for ultrathin optoelectronic devices due to their direct narrow band-gap and the strong light-matter interaction. In addition…