Zobrazeno 1 - 10
of 340
pro vyhledávání: '"SOTTILE, Francesco"'
This study presents an \textit{ab initio} investigation of the XANES spectra at the aluminum K edge for three compounds: Al$_2$O$_3$, AlF$_3$ and AlCl$_3$, where the Al atoms share the same oxidation state~(III) and are coordinated in an octahedral s
Externí odkaz:
http://arxiv.org/abs/2411.08811
The total energy and electron addition and removal spectra can in principle be obtained exactly from the one-body Green's function. In practice, the Green's function is obtained from an approximate self-energy. In the framework of many-body perturbat
Externí odkaz:
http://arxiv.org/abs/2312.04154
We present an ab initio study of neutral core and valence electronic excitations in {\alpha}-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an all-electron framework. Calculated spectra at the Al K and L1 e
Externí odkaz:
http://arxiv.org/abs/2309.05609
We present an ab initio description of optical and shallow-core x-ray absorption spectroscopies in a unified formalism based on the pseudopotential plane-wave method at the level of the Bethe-Salpeter equation (BSE) within Green's functions theory. W
Externí odkaz:
http://arxiv.org/abs/2301.04199
We present a formalism for the resonant inelastic x-ray scattering (RIXS) cross section. The resulting compact expression in terms of polarizability matrix elements, particularly lends itself to the implementation in an all-electron many-body perturb
Externí odkaz:
http://arxiv.org/abs/2205.05201
Autor:
Viola, Enrico, Badalamenti, Natale, Bruno, Maurizio, Tundis, Rosa, Loizzo, Monica Rosa, Moschetti, Giancarlo, Sottile, Francesco, Naselli, Vincenzo, Francesca, Nicola, Settanni, Luca, Gaglio, Raimondo
Publikováno v:
In Future Foods June 2024 9
Autor:
Garofalo, Giuliana, Gaglio, Raimondo, Viola, Enrico, Loizzo, Monica Rosa, Badalamenti, Natale, Bruno, Maurizio, Sottile, Francesco, Sicari, Vincenzo, Cerulli, Antonietta, Piacente, Sonia, Francesca, Nicola, Settanni, Luca
Publikováno v:
In Journal of Agriculture and Food Research June 2024 16
Autor:
Viola, Enrico, Garofalo, Giuliana, Busetta, Gabriele, Supper, Maria, Alfonzo, Antonio, Tolone, Marco, Francesca, Nicola, Moschetti, Giancarlo, Sottile, Francesco, Gaglio, Raimondo, Settanni, Luca
Publikováno v:
In Journal of Agriculture and Food Research March 2024 15
Silver chloride is a material that has been investigated and used for many decades. Of particular interest are its optical properties, but only few fundamental theoretical studies exist. We present first-principles results for the optical properties
Externí odkaz:
http://arxiv.org/abs/2009.08699
Publikováno v:
Phys. Rev. Research 2, 042003 (2020)
We present a novel derivation of resonant inelastic x-ray scattering (RIXS) which yields an expression for the RIXS cross section in terms of emission pathways between intermediate and final many-body states. Thereby electron-hole interactions are ac
Externí odkaz:
http://arxiv.org/abs/2002.12876