| dcterms.contributor.author | Summa, Francesco F. | |
| dc.date.accessioned | 2024-09-10T09:15:41Z | |
| dc.date.available | 2024-09-10T09:15:41Z | |
| dcterms.date.issued | 2024-02-22 | |
| dcterms.identifier.uri | http://elea.unisa.it/xmlui/handle/10556/7332 | |
| dc.description | 2021 - 2022 | it_IT |
| dc.description.abstract | The PhD thesis written by Francesco F. Summa on Molecular Properties via
Induced Current Densities is a careful report of a highly qualified and innovative research. Sixteen
peer-reviewed publications on renowned journals in the chemical physics and theoretical chemistry
areas have originated from the work reported in the thesis, besides other six publications, also co-
authored by F. F. Summa on different subjects. The number, excellent quality and originality of the
16 papers mentioned above is far beyond any usual standard for a PhD student, even when the
worldwide reckoned scientific excellence of the research group(s) within which the work has been
performed is properly taken into account.
The work done in the thesis consists of three well identified parts: theory development, SW
implementation of the developed theory into the freely available SYSMOIC package and test
applications of the newly developed theory and SW on a good number of carefully selected cases.
All three mentioned steps of the PhD work are reported in the thesis with great clarity, perfect
progression and concatenation. The writing is terse and quite accurate. After a brief and clear
introduction, the general quantum mechanical framework for the treatment of a molecular system
interacting with electric and magnetic time dependent fields is elegantly recapped and exposed.
Chapter 3 introduces the equations defining the total current density induced by a time-independent
magnetic field and illustrates in detail the procedures aimed at solving the problem of the origin
dependence of the computed current density vector field. Chapter 4 deals with time-dependent
perturbations and how they do result into time-dependent charge and current densities. Chapter 5
reports a number of very interesting applications, both in the static and in the dynamic regimes, of
the theoretical and SW developments illustrated in the Chapter 3 and 4. The work performed in the
thesis and the writing thereof both show a very high command of symmetry analysis of systems in a
magnetic field and of the topological analysis and classification of current densities, two subjects
which are not at all trivial. The provided list of acronyms, in the initial pages of the thesis, is highly
appreciated. Overall, this thesis provides an extremely recommendable reading for those who are
interested or want to be acquainted with the most recent progresses on the subject of Molecular
Properties via Induced Current Densities. [Report by Carlo Gatti on the PhD thesis of Francesco F. Summa] | it_IT |
| dc.language.iso | en | it_IT |
| dcterms.publisher.alternative | Universita degli studi di Salerno | it_IT |
| dcterms.subject | Induced Current Densities | it_IT |
| dcterms.title | Molecular Properties Via Induced Current Densities | it_IT |
| dcterms.type | Doctoral Thesis | it_IT |
| dc.subject.miur | CHIM/02 CHIMICA FISICA | it_IT |
| dc.contributor.coordinatore | Pellecchia, Claudio | it_IT |
| dc.description.ciclo | XXXV ciclo | it_IT |
| dc.contributor.tutor | Zanasi, Riccardo | it_IT |
| dc.identifier.Dipartimento | Chimica e Biologia "A. Zambelli" | it_IT |
