A novel fully atomistic multiscale classical approach to model the optical response of solvated real-size plasmonic nanoparticles (NPs) is presented. The model is based on the coupling of the Frequency Dependent Fluctuating Charges and Fluctuating Dipoles (ωFQFμ), specifically designed to describe plasmonic substrates, and the polarizable Fluctuating Charges (FQ) classical force field to model the solvating environment. The resulting ωFQFμ/FQ approach accounts for the interactions between the radiation and the NP, as well as with the surrounding solvent molecules, by incorporating mutual interactions between the plasmonic substrate and solvent.
View Article and Find Full Text PDFPsychoanal Q
December 2023
This paper aims to describe the processes of construction and maintenance of analytic intimacy, understood as a shared state of relative internal freedom that is most permeable to preconscious and unconscious communications, which facilitate the processes of subjectivation, dreaming, and digestion of unprocessed trauma. The author illustrates the theoretical and technical features related to the concept of intimacy, highlighting the transformations of a clinical case followed in supervision. This article is presented in the form of a conversation with the supervisee, so as to evoke in the reader the dialogic and co-constructive experience of thought construction.
View Article and Find Full Text PDFWe present quantum mechanics (QM)/frequency dependent fluctuating charge (QM/ωFQ) and fluctuating dipoles (QM/ωFQFμ) multiscale approaches to model surface-enhanced Raman scattering spectra of molecular systems adsorbed on plasmonic nanostructures. The methods are based on a QM/classical partitioning of the system, where the plasmonic substrate is treated by means of the atomistic electromagnetic models ωFQ and ωFQFμ, which are able to describe in a unique fashion and at the same level of accuracy the plasmonic properties of noble metal nanostructures and graphene-based materials. Such methods are based on classical physics, i.
View Article and Find Full Text PDFThe performance of different quantum mechanics/molecular mechanics embedding models to compute vacuo-to-water solvatochromic shifts is investigated. In particular, both nonpolarizable and polarizable approaches are analyzed and computed results are compared to reference experimental data. We show that none of the approaches outperform the others and that errors strongly depend on the nature of the molecular transition to be described.
View Article and Find Full Text PDFOptical properties of metal nanostructures are the basis of several scientific and technological applications. When the nanostructure characteristic size is of the order of few nm or less, it is generally accepted that only a description that explicitly describes electrons by quantum mechanics can reproduce faithfully its optical response. For example, the plasmon resonance shift upon shrinking the nanostructure size (red-shift for simple metals, blue-shift for -metals such as gold and silver) is universally accepted to originate from the quantum nature of the system.
View Article and Find Full Text PDFWe propose a route for the rational design of engineered graphene-based nanostructures, which feature enormously enhanced electric fields in their proximity. Geometrical arrangements are inspired by nanopatterns allowing single molecule detection on noble metal substrates, and are conceived to take into account experimental feasibility and ease in fabrication processes. The attention is especially focused on enhancement effects occurring close to edge defects and grain boundaries, which are usually present in graphene samples.
View Article and Find Full Text PDFInt J Psychoanal
June 2020
The authors lay the groundwork for a theory and technique of transformative outreach of psychoanalysis, a process of group building of a shared emotional experience by way of a discourse on issues of psychoanalytic relevance. The subject of interest is the public conference, where the "outreach session" is defined as a situation built on the basis of a well-defined setting, which allows the unfolding of the informative process to the best effect. Being able to grasp the quality of the experience that one is creating, while respecting individual differences, is a specific analytical capacity.
View Article and Find Full Text PDFInt J Psychoanal
August 2016
Pre-adolescents' difficulty in portraying and communicating the internal turmoil to which puberty subjects them, both through the immaturity of their psychic functions and through the conflict between display and secrecy, presents a constant challenge to the analyst. A technical solution for making the process of subjectivation more pleasant may be found in modelling with Play Doh, a game/non-game which is not age-specific, an expressive form capable of evoking in the analytic field fantasies and representations that are otherwise only accessible with difficulty. This paper aims to present some reflections on the characteristic features of the Play Doh game in the session, with particular regard to work with patients between 10 and 14 years old who are in the midst of the process of adolescent subjectivation.
View Article and Find Full Text PDFThe aim of this work was to evaluate the efficacy of a discussion group as a psychological instrument in the field of Cardiological Rehabilitation. This consisted in a one hour and half discussion, lead by a Psychologist with the presence of a nurse of the Service, during which the patients traduced in words the traumatic effects of the surgical operation. In particular, after this psychological intervention we found a reduction of the state anxiety as evaluated through the STAI-X1 Questionnaire, with a test-retest methodology, in a group of 43 patients of the Cardiological Rehabilitation Service of the Castelfranco Hospital in Emilia.
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