| 1. |
- Schio, Luca, et al.
(författare)
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Photoionization Dynamics of the Tetraoxo Complexes OsO4 and RuO4
- 2020
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 59:10, s. 7274-7282
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Tidskriftsartikel (refereegranskat)abstract
- The photoionization dynamics of OsO4 and RuO4, chosen as model systems of small-size mononuclear heavy-metal complexes, has been theoretically studied by the time-dependent density functional theory (TDDFT). Accurate experimental measurements of photoionization dynamics as a benchmarking test for the theory are reported for the photoelectron asymmetry parameters of outer valence ionizations of OsO4, measured in the 17–90 eV photon energy range. The theoretical results are in good agreement with the available experimental data. The observed dynamical behavior of partial cross sections and asymmetry parameters has been related to both the coupling to the continuum of discrete excited states, giving strong modulations in the photon energy dependency, and the atomic composition of the initial ionized states, which determines the rate of decay of ionization probability for increasing excitation energies. Overall, an extensive analysis of the photoionization dynamics for valence and core orbitals is presented, showing good agreement with all the available experimental data. This provides confidence for the validity of the TDDFT approach in describing photoionization of heavy transition element compounds, with the perspective of being used for larger systems. Further experimental work is suggested for RuO4 to gather evidence of the sensitivity of the theoretical method to the nature of the metal atom.
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| 2. |
- Benedetti, Dario, et al.
(författare)
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Finite-size versus finite-temperature effects in the critical long-range O(N) model
- 2024
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Ingår i: Journal of High Energy Physics (JHEP). - : Springer Nature. - 1126-6708 .- 1029-8479. ; 2024:2
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Tidskriftsartikel (refereegranskat)abstract
- In this paper we consider classical and quantum versions of the critical long-range O(N) model, for which we study finite-size and finite-temperature effects, respectively, at large N. First, we consider the classical (isotropic) model, which is conformally invariant at criticality, and we introduce one compact spatial direction. We show that the finite size dynamically induces an effective mass and we compute the one-point functions for bilinear primary operators with arbitrary spin and twist. Second, we study the quantum model, mapped to a Euclidean anisotropic field theory, local in Euclidean time and long-range in space, which we dub fractional Lifshitz field theory. We show that this model admits a fixed point at zero temperature, where it displays anisotropic Lifshitz scaling, and show that at finite temperature a thermal mass is induced. We then compute the one-point functions for an infinite family of bilinear scaling operators. In both the classical and quantum model, we find that, as previously noted for the short-range O(N) model in [1], the large-N two-point function contains information about the one-point functions, not only of the bilinear operators, but also of operators that appear in the operator product expansion of two fundamental fields only at subleading order in 1/N, namely powers of the Hubbard-Stratonovich intermediate field.
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