Self-interactions can stabilize excited boson stars

We study the time evolution of spherical, excited (i.e. nodeful) boson star models. We consider a model including quartic self-interactions, controlled by a coupling Λ. Performing non-linear simulations of the Einstein-(complex)-Klein-Gordon system, using as initial data equilibrium boson stars solutions of that system, we assess the impact of Λ in the stability properties of the boson stars. In the absence of self-interactions (Λ = 0), we observe the known behaviour that the excited stars in the (candidate) stable branch decay to a non-excited star without a node; however, we show that for large enough values of the self-interactions coupling, these excited stars do not decay (up to timescales of about t ∼104). The stabilization of the excited states for large enough self-interactions is further supported by evidence that the nodeful states dynamically form through the gravitational cooling mechanism, starting from dilute initial data. Our results support the healing power (against dynamical instabilities) of self-interactions, recently unveiled in the context of the non-axisymmetric instabilities of spinning boson stars.

Revisiting the Role of Charge Transfer and Local Excitations in Thermally Activated Delayed Fluorescence

Thermally activated delayed fluorescence (TADF) is a phenomenon that relies on the upconversion of triplet excitons to singlet excitons by means of reverse intersystem crossing (rISC). It has been shown both experimentally and theoretically that the TADF mechanism depends on the interplay between charge transfer and local excitations. However, the difference between the diabatic and adiabatic character of the involved excited states is rarely discussed in the literature. Here, we develop a diabatization procedure to implement a 4-state model Hamiltonian to a set of TADF molecules. We provide physical interpretation for the Hamiltonian elements and show their dependence on the electronic state of the equilibrium geometry. We also demonstrate how vibrations affect TADF efficiency by modifying the diabatic decomposition of the molecule. Finally, we provide a simple model that connects the diabatic Hamiltonian to the electronic properties relevant to TADF and show how such relationship translates into different optimization strategies for rISC, fluorescence and overall TADF performance.

Collisional radiative model for the evaluation of the Thermal Helium Beam diagnostic at ASDEX Upgrade

The thermal helium beam diagnostic at ASDEX Upgrade is used to infer the electron density ne and temperature Te in the scrape-off layer and the pedestal region from the emission of visible lines of the locally injected helium. The link between ne and Te and the emission is provided by a collisional radiative model, which delivers the evolution of the populations of the relevant excited states as the He atoms travel through the plasma. A computationally efficient method with just three effective states is shown to provide a good approximation of the population dynamics. It removes an artificial rise of Te at the plasma edge when using a simple static model. Furthermore, the re-absorption of the vacuum ultra-violet resonance lines has been introduced as additional excitation mechanism being mainly important in the region close to the injection point. This extra excitation leads to a much better fit of the measured line ratios in this region for larger puff rates.

Dynamics of small molecules within the F127 PEO-PPO-PEO triblock copolymer gel and sol phases studied at the molecular scale

The dynamics of naphthalene derivatives with different hydrophobicities bound to F127 polyethyleneoxide-polypropyleneoxide-polyethyleneoxide (PEO-PPO-PEO) micelles in the gel and sol phases were studied using a quenching methodology for the triplet excited states of the naphthalenes. Studies with triplet excited states probe a larger reaction volume than the volumes accessible when using fluorescent singlet excited states. The use of triplet excited states enables the determination of the dynamics between different compartments of a supramolecular system, which in the case of F127 micelles are the micellar core, the micellar corona and the aqueous phase. This report includes laser flash photolysis studies for the four naphthalene derivatives in the F127 gel and sol phases. The triplet excited states were quenched using the nitrite anion as the quenchers. The association and dissociation rate constants of the naphthalenes from the micelles and the quenching rate constants for the naphthalenes bound to the micelles were determines from the curved quenching plot (observed decay rate constant vs. nitrite concentration).

Photocontrolled multiple-state photochromic benzo[b]phosphole thieno[3,2-b]phosphole-containing alkynylgold(I) complex via selective light irradiation

Photochromic materials have drawn growing attention because using light as a stimulus has been regarded as a convenient and environmental-friendly way to control properties of smart materials. While photoresponsive systems that are capable of showing multiple-state photochromism are attractive, the development of materials with such capabilities has remained a challenging task. Here we show that a benzo[b]phosphole thieno[3,2‑b]phosphole-containing alkynylgold(I) complex features multiple photoinduced color changes, in which the gold(I) metal center plays an important role in separating two photoactive units that leads to the suppression of intramolecular quenching processes of the excited states. More importantly, the exclusive photochemical reactivity of the thieno[3,2‑b]phosphole moiety of the gold(I) complex can be initiated upon photoirradiation of visible light. Stepwise photochromism of the gold(I) complex has been made possible, offering an effective strategy for the construction of multiple-state photochromic materials with multiple photocontrolled states to enhance the storage capacity of potential optical memory devices.

Analytical Solving a Nonlinear Model of the Glow Discharge

A nonlinear model has been introduced for the positive column of DC glow discharge in apure sealed, or low flow, gas media by including the diffusion, recombination, attachment, detachment,process and having the two-step ionization process of the metastable excited states, too. By thecombination of the system of the nonlinear continuity equations of the system, using some physicalestimations, and degrading the resulted nonlinear PDE in polar and rectangular systems of coordinatethe steady-state nonlinear ODE have been derived. Using a series-based solution, an innovativenonlinear recursion relation has been proposed for calculating the sentence of series. Using the stateof elimination of free charge on the outer boundary of the discharge vessel, the universal equation ofthe characteristic energy of the electrons versus the similarity variable, using the maximum degree ofionization as the parameter, has been derived.

Atypical dependence of excited exciton energy levels and electron-hole correlation on emission energy in pyramidal InP-based quantum dots

We calculate the spectrum of excited exciton states in application-relevant self-assembled pyramidal quantum dots grown in InAs/InP and InAs/AlGaInAs material systems. These types of dots have been recently shown to combine the emission in the third optical fiber window with low surface density and a reasonable level of in-plane symmetry of emitters, which predestines them for studies on single- and entangled-photon emission and for corresponding applications. The spectrum of optically active excited states is crucial for successful resonant and quasi-resonant excitation of emitters, allowing for conservation of angular momentum and addressing individual selected quantum states. Here, we show that in both types of studied dots, due to their specific morphology of truncated pyramid, the density of excited-state ladder, especially the s–p shell splitting may follow an unconventional dependence on emission energy, opposite to the one typically met in regular quantum dots. We obtain this result via modeling based on available morphological data and calculation within the multi-band $${{\varvec{k}} {\cdot } {\varvec{p}}}$$ k · p envelope-function theory combined with the configuration-interaction method used to calculate exciton states. Then, we explain this observation in purely geometric terms, as a result of an increasing effective quantum confinement width in a pyramid that is progressively cut from the top. Additionally, we show that the inverted trend is also manifested in the amount of electron-hole correlation in the exciton ground state, which also shows an anomalous dependence on emission energy and quantum dot volume.

Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols

The present benchmark calculations testify to the validity of time-dependent density functional theory (TD-DFT) when exploring the low-lying excited states potential energy surfaces of models of phenylalanine protein chains. Among three functionals suitable for systems exhibiting charge-transfer excited states, LC-ωPBE, CAM-B3LYP, and ωB97X-D, which were tested on a reference peptide system, we selected the ωB97X-D functional, which gave the best results compared to the approximate coupled-cluster singles and doubles (CC2) method. A quantitative agreement for both the geometrical parameters and the vibrational frequencies was obtained for the lowest singlet excited state (a ππ* state) of the series of capped peptides. In contrast, only a qualitative agreement was met for the corresponding adiabatic zero-point vibrational energy (ZPVE)-corrected excitation energies. Two composite protocols combining CC2 and DFT/TD-DFT methods were then developed to improve these calculations. Both protocols substantially reduced the error compared to CC2 and experiment, and the best of both even led to results of CC2 quality at a lower cost, thus providing a reliable alternative to this method for very large systems.