Abstract: We explore the origin of the anomalous splitting of the 1(01) levels reported experimentally for the H2O@C-60 endofullerene, in order to give some insight about the physical interpretations of the symmetry breaking observed. We performed fully-coupled quantum computations within the multiconfiguration time-dependent Hartree approach employing a rigorous procedure to handle such computationally challenging problems. We introduce two competing physical models, and discuss the observed unconventional quantum patterns in terms of anisotropy in the interfullerene interactions, caused […]
Abstract: Absolute total electron detachment cross for O-2 (-) collisions with O-2 are reported for impact energies ranging from 10 to 1600 eV as measured with a transmission-beam experimental apparatus. The primary anionic beam projectile is produced in a hollow cathode discharge-induced plasma, and the collisions with the neutral molecular target occur in a gas cell at a well-known constant pressure. The […]
Abstract: The very recent development of highly selective techniques making possible the synthesis and experimental characterization of subnanometric (subnanometer-sized) metal clusters (even single atoms) is pushing our understanding far beyond the present knowledge in materials science, driving these clusters as a new generation of quantum materials at the lower bounds of nanotechnology. When the size of the metal cluster is reduced to a small number of atoms, the d-band of the metal splits into […]
Abstract: Phase transitions represent a compelling tool for classical and quantum sensing applications. It has been demonstrated that quantum sensors can in principle saturate the Heisenberg scaling, the ultimate precision bound allowed by quantum mechanics, in the limit of large probe number and long measurement time. Due to the critical slowing down, the protocol duration time is of utmost relevance in critical quantum metrology. However, how the long-time limit is reached remains […]
Concedida una acción COST a un multiequipo liderado por el IFF
La investigadora del IFF, Dra. María Pilar de Lara Castells, lidera una red de investigación interdisciplinar que acaba de ser aprobada para su financiación por la organización COST (European Cooperation in Science and Tecnology). La acción COST aprobada aglutina a 40 países con cerca de 140 grupos de investigación, que abarcan los campos de Física Atómica y Molecular, Física Química, Ingeniería de Materiales, Ciencias Químicas, Astrofísica y Ciencias del Espacio.
El objetivo de la acción, de título “Confined Molecular Systems: From a New Generation of Materials to the Stars” (acrónimo: COSY) será proporcionar […]
Abstract: The rotational spectrum (4-40 GHz and 50-330 GHz) has been measured and analyzed for trifluoroacetaldehyde, also known as fluoral (CF3CHO), which is one of the degradation products of the fluorinated contaminants emitted into the atmosphere. The complexity of the spectroscopic analysis of this molecule arises from the strong coupling between the internal rotation motion of CF3 group and the […]
Abstract: The dynamics of the formation of a specific clathrate hydrate as well as its thermodynamic transitions depend on the interactions between the trapped molecules and the host water lattice. The molecular-level understanding of the different underlying processes benefits not only the description of the properties of the system, but also allows the development of multiple technological applications such as gas storage, gas separation, energy transport, etc. In this work we investigate the stability […]
Abstract: We introduce an inductive n-qubit pure-state estimation method based on projective measurements on mn + 1 separable bases or m entangled bases plus the computational basis, with m >= 2. The method exhibits a favorable scaling in the number of qubits compared to other estimation schemes. The use of separable bases makes our estimation method particularly well suited for applications in noisy intermediate-scale quantum computers, where entangling gates are much less accurate than local […]
Abstract: The classical spin-vector Monte Carlo (SVMC) model is a reference benchmark for the performance of a quantum annealer. Yet, as a Monte Carlo method, SVMC is unsuited for an accurate description of the annealing dynamics in real-time. We introduce the spin-vector Langevin (SVL) model as an alternative benchmark in which the time evolution is described by Langevin dynamics. The SVL model is shown to provide a more stringent […]
Abstract: Conformal field theories (CFTs) have been used extensively to understand the physics of critical lattice models at equilibrium. However, the applicability of CFT calculations to the behavior of the lattice systems in the out-of-equilibrium setting is not entirely understood. In this work, we compare the CFT results of the evolution of the entanglement spectrum after a quantum quench with numerical calculations of the entanglement spectrum of the three-state Potts model using matrix product […]
Abstract: We have used a crossed electron molecular beam setup to investigate the behavior of the anticancer drug temozolomide (TMZ) upon the attachment of low-energy electrons (0-14 eV) in the gas phase. Upon a single electron attachment, eight anionic fragments are observed, the most intense being an anion with mass of 109 u at a resonance energy of 0 eV. Quantum chemical calculations suggest that this ion is generated […]
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