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VITTORIA URSO
Dottorando
Dipartimento di Scienze Fisiche, Informatiche e Matematiche
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Pubblicazioni
2022
- Development of Novel Kinetic Energy Functional for Orbital-Free Density Functional Theory Applications-II
[Articolo su rivista]
Urso, Vittoria
abstract
2022
- Development of novel kinetic energy functional for orbital-free density functional theory applications
[Articolo su rivista]
Urso, Vittoria
abstract
The development of novel Kinetic Energy (KE) functionals is an important topic in density functional theory (DFT). In particular, this happens by means of an analysis with newly developed benchmark sets. Here, I present a study of Laplacian-level kinetic energy functionals applied to metallic nanosystems. The nanoparticles are modeled using jellium sph eres of different sizes, background densities, and number of electrons. The ability of different functionals to reproduce the correct kinetic energy density and potential of various nanoparticles is investigated and analyzed in terms of semilocal descriptors. Most semilocal KE functionals are based on modifications of the second-order gradient expansion GE2 or GE4. I find that the Laplacian contribute is fundamental for the description of the energy and the potential of nanoparticles.
2022
- New 2D Material: Two-Dimensional Black Phosphorus (2D {BP})
[Articolo su rivista]
Urso, Vittoria
abstract
In this article, I want to show some properties of black phosphorus (BP) and some of its applications. In particular, in Sec. 1, I give an introduction to the topic and some historical notes, in Sec. 2, the two-dimensional crystal structure of the BP is explained, in Sec. 3, the optical and electronic properties of the BP are shown, in Sec. 4, the biomedical applications of the BP are listed and finally in Sec. 5, there are conclusions.
2021
- Renormalized Schwinger–Dyson functional
[Articolo su rivista]
Guadagnini, Enore; Urso, Vittoria
abstract
We consider the perturbative renormalization of the Schwinger-Dyson functional, which is the generating functional of the expectation values of the products of the composite operator given by the field derivative of the action. It is argued that this functional plays an important role in the topological Chern-Simons and BF quantum field theories. It is shown that, by means of the renormalized perturbation theory, a canonical renormalization procedure for the Schwinger-Dyson functional is obtained. The combinatoric structure of the Feynman diagrams is illustrated in the case of scalar models. For the Chern-Simons and the BF gauge theories, the relationship between the renormalized Schwinger-Dyson functional and the generating functional of the correlation functions of the gauge fields is produced.