Abstract: A flux qubit can interact strongly when it is capacitively coupled to other circuit elements. This interaction can be separated into two parts, one acting on the qubit subspaces and one in which excited states mediate the interaction. The first term dominates the interaction between the flux qubit and an LC resonator, leading to ultrastrong couplings of the form sigma(y)(a + a dagger), which complement the inductive sigma(x)i(a dagger – a) […]
Abstract: Helium clusters around the recently experimentally observed sulphur hexafluoride SF6+ and sulphur pentafluoride SF5+ ions are investigated using a combined experimental and theoretical effort. Mass spectrometry ion yields are obtained and the energetics and structure of the corresponding He-N-SF6+ and He-N-SF5+ clusters are analyzed using path integral molecular dynamics calculations as a function of N, the number of He […]
Abstract: Context. The carbon-rich envelope of the asymptotic giant branch star CW Leo, IRC+10216, is one of the richest molecular sources in the sky. Available spectral surveys below 51 GHz are more than 25 years old, and new work is needed. Aims. Characterizing the rich molecular content of this source, specially for heavy species, requires […]
Seminario IFF 2022 “High Resolution, Thermal Infrared Spectroscopy in the age of JWST”, por Dr. Matthew Richter
El IFF-CSIC continúa su ciclo de seminarios con esta charla del Dr. Matthew Richter(Department of Physics, University of California, Davis, USA) que se celebrará este lunes 18 de abril en la Sala de Conferencias de Serrano 121 a las 12.00 h sobre la importancia de las observaciones de alta resolución espectral en el infrarrojo térmico. Podrá también seguirse online a través de Zoom
Seminario 2022 “On-the-fly ab initio semiclassical evaluation of vibrationally resolved electronic spectra beyond the Condon and zero temperature approximations”, por Prof. Jiří Vaníček
El IFF-CSIC continúa su ciclo de seminarios con esta charla del profesorJiří Vaníček (Laboratory of Theoretical Physical Chemistry, École Polytechnique Fédérale de Lausanne, Switzerland) que se celebrará el próximoviernes 8 de abril en la Sala de Conferencias de Serrano 121 a las 12.00 h sobre el desafío que suponen los espectros electrónicos resueltos vibracionalmente a la teoría de dinámica química.
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: Methyl vinyl ketone is one of the major oxidation products of isoprene, and therefore, an important precursor of secondary organic aerosol. Understanding its interactions with water is relevant to gain insight into aerosol formation and improve the predictive power of atmospheric chemistry models. The molecular complex formed between methyl vinyl ketone and water has been generated in a supersonic jet and characterized using high-resolution microwave […]
Abstract: Dinitriles with a saturated hydrocarbon skeleton and a -C N group at each end can have large electric dipole moments. Their formation can be related to highly reactive radicals such as CH2CN, C2N, or CN. Thus, these saturated dinitriles are potential candidates to be observed in the interstellar medium. In this work, two members of this family, hexanedinitrile and heptanedinitrile, have been investigated […]
Abstract: Photodissociation of the vinyl radical through pathways CH2CH -> CH2C + H, CH2CH -> CHCH + H, and CH2CH -> CH2 + CH is investigated by means of high-level ab initio calculations. Potential-energy curves (PECs) along the corresponding dissociating bond distance associated with the ground and several excited electronic states involved in the above fragmentation pathways, as well as the nonadiabatic couplings connecting the different states, are obtained. The findings of […]
Abstract: We report the detection of the protonated form of HC7N in TMC-1. The discovery of the cation HC7NH+ was carried out via the observation of nine harmonically related lines in the Q-band using the Yebes 40 m radiotelescope. The observed frequencies allowed us to obtain the rotational constants B-0 = 553.938802 (160) MHz and D-0 = 3.6292 (705) Hz. The identification of HC7NH+ is further […]
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: Waveguide QED has emerged as a powerful analog quantum simulator due to the possibility of mediating versatile spin-spin interactions with tunable sign, range, and even dimerization. Yet, despite their potential, the many-body phases emerging from these systems have only been scarcely explored. Here, we characterize the many-body phases of a large class of spin models that can be obtained in such waveguide-QED simulators and uncover, importantly, the existence of symmetry-protected topological phases with large-period magnetic […]
Abstract: We present quasi-classical trajectory (QCT) cross sections, rate constants, and product state distributions for the D + H-3(+) -> H2D+ + H reaction. Using the same H-4(+) potential surface, the rate constants obtained from several QCT-based methods correcting for zero-point effects by Gaussian binning the product H2D+ are compared to ring polymer molecular dynamics (RPMD) rate constants [Bulut et al., J. Phys. Chem. A, 2019, 123, 8766] which include quantum effects and to […]
Abstract: We report the first detection of the S(1) pure rotational line of ortho-H-2 at 17.04 mu m in an asymptotic giant branch star, using observations of IRC+10216 with the Echelon-cross-echelle Spectrograph (EXES) mounted on the Stratospheric Observatory for Infrared Astronomy. This line, which was observed in a very high-sensitivity spectrum (rms noise similar or equal to 0.04% of the continuum), was detected in the wing of […]
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 […]
Necessary cookies are absolutely essential for the website to function properly. This category only includes cookies that ensures basic functionalities and security features of the website. These cookies do not store any personal information.
Any cookies that may not be particularly necessary for the website to function and is used specifically to collect user personal data via analytics, ads, other embedded contents are termed as non-necessary cookies. It is mandatory to procure user consent prior to running these cookies on your website.