Coupling Constants Research Articles

Rotational spectroscopy of 2,4,6-cycloheptatriene-1-carbonitrile: facilitating the search for complex cyclic molecules in the ISM.

The recent astronomical observations of the simplest aromatic nitrile benzonitrile, c-C6H5CN, followed by a five-membered and a bicyclic CN-functionalized ring in TMC-1 have provided a significant impetus to the field for searches of cyclic complex organic molecules in space. One such example is 2,4,6-cycloheptatriene-1-carbonitrile, a seven-membered ring with a -CN group attached to the sp3-hybridized carbon atom. With a permanent electric dipole moment of 4.3 D, this molecule is an excellent candidate for laboratory rotational spectroscopy. In this study, experiments were performed in the 2-8 GHz, 18-26 GHz, and 75-110 GHz frequency ranges in a supersonic expansion setup and a room temperature flow cell setup. The measurements across the broad frequency range of 2-110 GHz have enabled the identification and assignment of the vibronic ground state, singly substituted rare-atom isotopologues, and vibrationally excited states. Here, we report the precise determination of the rotational constants, quartic centrifugal distortion constants, nitrogen nuclear quadrupole coupling constants, as well as molecular structure in its vibronic ground state. The comprehensive rotational spectroscopy study of this molecule, covering a large frequency range, forms the basis for its future astronomical detection and thus for extending the pool of detected complex cyclic molecules.

Vortex phase diagram and transition in (Bi1.6Pb0.4Sr2Ca2Cu3O10-δ)1-x(SnO2)x superconductors

The superconducting vortex phase diagram of (Bi1.6Pb0.4Sr2Ca2Cu3O10-δ)1-x(SnO2)x ceramics, where x = 0, 0.002, 0.004, 0.006, 0.008, and 0.010, was investigated using resistivity measurement under magnetic fields. If the value of the offset critical temperature (Tc,offset) monotonously decreased on the SnO2-added samples, then the mean-field critical temperature (Tmf) would slightly improve on the x = 0.002 sample. The excess conductivity of all samples was analyzed based on the Aslamazov–Larkin and Lawrence–Doniach models. The c-axis coherence length at 0 K (ξc(0)) and the interlayer coupling strength were optimized on the x = 0.002 sample. The activation energy (U0) calculated using the Arrhenius model was also increased, and the maximum for the x = 0.002 sample was reached. The upper critical field (Bc2) deduced using the Werthamer–Helfand–Hohenberg model was also enhanced for the x = 0.002 sample. The small bundle field (Bsb), large bundle field (Blb), irreversibility field (Birr), and Bc2 were combined for the vortex phase (B-T) diagram of the x = 0.000 and x = 0.002 samples. All pinning regimes of the x = 0.002 sample were extended, clearly revealing the improvements in the flux pinning properties in that sample.

Investigation of numerical transport models in protein-based molecular junctions with cofactors of diverse chemical natures

The cofactors of proteins dictate the charge transport mechanism across molecular junctions when self-assembled protein monolayers are sandwiched between two metal electrodes. Here, we summarized how the chemical coordination nature of cofactors in various proteins modulates electrical conductance by investigating electronic transport studies across different protein-based molecular junctions under various forces applied under the AFM tip. We have utilized several numerical techniques of electronic transport to analyse the experimentally obtained current–voltage measurements across various protein-based molecular junctions and depicted the origin of electronic modulation in the electrical conductance under different external stimuli. We could also find the origin of electronic conductance modulation under external stimuli at various applied forces by obtaining several analytical transport parameters such as energy barrier, coupling strength, and electrical conductance values. Utilizing density-functional-theory calculations, we further validate that the electronic density of states present in the cofactors within the proteins dominates the electronic transport behaviours across protein-based molecular junctions. Our findings reveal the limiting factor for applying various external stimuli on different proteins, which could be further valuable in bioelectronic applications. We have also found that the organic cofactor containing protein follows all the tunneling mechanism-related numerical transport models and the electronic transport across proteins with pure inorganic cofactors follows Landauer transport formalism.

Perturbing the Stable Accretion Disk in Kerr and 4D Einstein–Gauss–Bonnet Gravities: Comprehensive Analysis of Instabilities and Dynamics

The study of a disturbed accretion disk holds great significance in the realm of astrophysics, as such events play a crucial role in revealing the nature of disk structure, the release of energy, and the generation of shock waves. Consequently, they can help explain the causes of X-ray emissions observed in black hole accretion disk systems. In this paper, we perturb the stable disk formed by spherical accretion around Kerr and Einstein–Gauss–Bonnet (EGB) black holes. This perturbation reveals one- and two-armed spiral shock waves around the black hole. We find a strong connection between these waves and the black hole spin parameter (a/M) and the EGB coupling constant (α). Specifically, we find that as α increases in the negative direction, the dynamics of the disk and the waves become more chaotic. Additionally, we observe that the angular momentum of the perturbing matter significantly affects mass accretion and the oscillation of the arising shock waves. This allows us to observe changes in QPO frequencies, particularly, perturbations with angular momentum matching the observed C−type low-frequency QPOs of the GRS 1915+105 source. Thus, we conclude that the possibility of the occurrence of shock waves within the vicinity of GRS 1915+105 is substantial.

Plasmon-Exciton Interaction at the Nanoscale: Silver Is More "Precious" than Gold!

Predictive understanding of factors affecting plasmon-exciton coupling is crucial for the successful realization of the exciting potentials of plexcitonic nanostructures. Here, we systematically investigate the role of plasmonic metals in controlling the plasmon-exciton coupling strength. We use gold and silver nanoprisms, having identical LSPR maxima, as the plasmonic components and form two plexciton hybrids with the J-aggregates of a cyanine dye. Single-particle spectroscopy is employed to study and compare the abilities of gold and silver in influencing plasmon-exciton interaction at the nanoscale. Despite much faster plasmon dephasing than its gold counterpart, the silver nanoprism exhibits greater Rabi splitting. We reveal that the smaller plasmon mode-volume despite having larger physical volume, superior local electric-field enhancement, and smaller Ohmic losses compared to gold, enables the silver nanoprism to defy the pronounced plasmon decoherence effects and to show stronger plasmon-exciton coupling. These findings suggest that silver nanostructures should be the unequivocal choice over gold when "strong coupling" is desired for any application.

Tunable single emitter-cavity coupling strength through waveguide-assisted energy quantum transfer

The emitter-cavity strong coupling manifests crucial significance for exploiting quantum technology, especially in the scale of individual emitters. However, due to the small light-matter interaction cross-section, the single emitter-cavity strong coupling has been limited by its harsh requirement on the quality factor of the cavity and the local density of optical states. Herein, we present a strategy termed waveguide-assisted energy quantum transfer (WEQT) to improve the single emitter-cavity coupling strength by extending the interaction cross-section. Multiple ancillary emitters are optically linked by a waveguide, providing an indirect coupling channel to transfer the energy quantum between target emitter and cavity. An enhancement factor of coupling strength g̃/g>10\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\widetilde{g}/g > 10$$\\end{document} can be easily achieved, which dramatically release the rigorous design of cavity. As an extension of concept, we further show that the ancillae can be used as controlling bits for a photon gate, opening up new degrees of freedom in quantum manipulation.

Exploring unconventional ferromagnetism in hole-doped LaCrAsO: insights into charge-transfer and magnetic interactions.

Itinerant ferromagnetism due to the canonical double exchange (CDE) mechanism always occurs at low doping concentrations. Here we demonstrate the occurrence of robust itinerant ferromagnetism that can persist high doping concentrations. Using experimentally synthesized LaCrAsO as an illustrative example, we study the effects of hole doping via first-principles calculations and observe that the parent G-type antiferromagnetism vanishes quickly at a low doping concentration (∼0.20) and the system becomes a ferromagnetic metal due to the CDE mechanism. As the doping concentration continues to increase, the As 4p orbitals are gradually pushed up to the Fermi level and doped with holes. These ligand holes participate in the exchange interactions and drive the system toward ferromagnetism. Therefore, itinerant ferromagnetism doesn't terminate at an intermediate doping concentration as the CDE mechanism usually predicts. Furthermore, our results reveal that both the nearest and the next-nearest ferromagnetic exchange coupling strengths keep growing with doping concentration monotonically, showing that the emergent ferromagnetism mediated by As 4p orbitals is "stronger" than that of the CDE picture. Our work unlocks a new mechanism of itinerant ferromagnetism and potentially paves the way towards novel magneto-transport properties.

Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators.

We test the performance of the polarizable embedding variational quantum eigensolver self-consistent field (PE-VQE-SCF) model for computing electric field gradients with comparisons to conventional complete active space self-consistent-field (CASSCF) calculations and experimental results. We compute quadrupole coupling constants for ice VIII and ice IX. We find close agreement of the quantum-computing PE-VQE-SCF results with the results from the classical PE-CASSCF calculations and with experiment. Furthermore, we observe that the inclusion of the environment is crucial for obtaining results that match the experimental data. The calculations for ice VIII are within the experimental uncertainty for both CASSCF and VQE-SCF for oxygen and lie close to the experimental value for ice IX as well. With the VQE-SCF, which is based on an adaptive derivative-assembled problem-tailored (ADAPT) ansatz, we find that the inclusion of the environment and the size of the different basis sets do not directly affect the gate counts. However, by including an explicit environment, the wavefunction and therefore the optimization problem become more complicated, which usually results in the need to include more operators from the operator pool, thereby increasing the depth of the circuit.

Multicritical dissipative phase transitions in the anisotropic open quantum Rabi model

We investigate the nonequilibrium steady state of the anisotropic open quantum Rabi model, which exhibits first-order and second-order dissipative phase transitions upon varying the degree of anisotropy between the coupling strengths of rotating and counter-rotating terms. Using both semiclassical and quantum approaches, we find a rich phase diagram resulting from the interplay between the anisotropy and the dissipation. First, there exists a bistable phase where both the normal and superradiant phases are stable. Second, there are multicritical points where the phase boundaries for the first- and second-order phase transitions meet. We show that a new set of critical exponents governs the scaling of the multicritical points. Finally, we discuss the feasibility of observing the multicritical transitions and bistability using a pair of trapped ions where the anisotropy can be tuned by controlling the intensity of the Raman transitions. Our study enlarges the scope of critical phenomena that may occur in finite-component quantum systems, which could be useful for applications in critical quantum sensing. Published by the American Physical Society 2024

Dactylfungins and Tetralones: Bioactive Metabolites from a Nematode-Associated Laburnicola nematophila.

A chemical investigation of Laburnicola nematophila, isolated from cysts of the plant parasitic nematode Heterodera filipjevi, affored three dactylfungin derivatives (1-3) and three tetralone congeners (4-6). Dactylfungin C (1), laburnicolin (4), and laburnicolenone (5) are previously undescribed natural products. Chemical structures of the isolated compounds were determined based on 1D and 2D NMR spectroscopic analyses together with HR-ESI-MS spectrometry and comparison with data reported in the literature. The relative configurations of compounds 1, 2, and 4-6 were determined based on their ROESY data and analysis of their coupling constants (J values). The absolute configurations of 4-6 were determined through the comparison of their measured and calculated TDDFT-ECD spectra. Compounds 1-3 were active against azole-resistant Aspergillus fumigatus.

Faddeev–Jackiw Hamiltonian formulation for general exotic bi-gravity

General exotic bi-gravity, obtained in Ozkan et al. (Phys Rev Lett 123(3):031303, 2019), is a unitary parity-preserving model which describes two interacting spin-two fields in three-dimensional spacetime. Adopting a symplectic viewpoint, we investigate the dynamical structure of general exotic bi-gravity theory. In particular, by exploiting the properties of the corresponding pre-symplectic matrix and its associated zero-modes, we explicitly derive all constraints of the theory, including the integrability conditions and scalar relationships between all the parameters and fields defining the model. Then, as an application, these scalar relationships are used for studying the anti-de Sitter background. After that, we derive the gauge transformations for the dynamical variables from the structure of the remaining zero-modes, meaning that such zero-modes are indeed the generators of the gauge symmetry of the theory. Finally, by switching off one of the four coupling constants βn\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\beta _{n}$$\\end{document} and assuming the invertibility of some of the dreibeins, we find that the general exotic bi-gravity theory has two physical degrees of freedom.

Not all that is β0 is β-function: the DGLAP resummation and the running coupling in NLO JIMWLK

We reanalyze the origin of the large transverse logarithms associated with the QCD one loop β function coefficient in the NLO JIMWLK Hamiltonian. We show that some of these terms are not associated with the running of the QCD coupling constant but rather with the DGLAP evolution. The DGLAP-like resummation of these logarithms is mandatory within the JIMWLK Hamiltonian, as long as the color correlation length in the projectile is larger than that in the target. This regime in fact covers the whole range of rapidities at which JIMWLK evolution is supposed to be applicable. We derive the RG equation that resums these logarithms to all orders in αs in the JIMWLK Hamiltonian. This is a nonlinear equation for the eikonal scattering matrix S(x). We solve this equation, and perform the DGLAP resummation in two simple cases: the dilute limit, where both the projectile and the target are far from saturation, and the saturated regime, where the target correlation length also determines its saturation momentum.

Strong radiative coupling between two quantum emitters with arbitrary mutual orientation via a silver nano-arc

Abstract Strong radiative coupling realizes coherent exchange of single excitation between two quantum emitters, while their dipole orientation influences the coupling strength in anisotropic environments. We propose a silver nano-arc with arbitrary radian which can support two hot spots of electric field with radian-independent resonant wavelength. Two quantum emitters resonant with the cavity mode, embedded inside the two hot spots and oriented along the nano-arc axis, can realize strong radiative coupling, verified by the large splitting and anti-crossing behavior in the spectrum and the population oscillation in the time domain. All these signatures of strong radiative coupling are robust against the nano-arc’s curvature. Our work provides a flexible approach to realize strong radiative coupling between two quantum emitters with arbitrary mutual orientation and facilitates quantum information processing.

Search for high-mass exclusive diphoton production with tagged protons in proton-proton collisions at s=13 TeV

A search is presented for high-mass exclusive diphoton production via photon-photon fusion in proton-proton collisions at s=13 TeV in events where both protons survive the interaction. The analysis utilizes data corresponding to an integrated luminosity of 103 fb−1 collected in 2016–2018 with the central CMS detector and the CMS and TOTEM precision proton spectrometer (PPS). Events that have two photons with high transverse momenta (pTγ>100 GeV), back-to-back in azimuth, and with a large diphoton invariant mass (mγγ>350 GeV) are selected. To remove the dominant inclusive diphoton backgrounds, the kinematic properties of the protons detected in PPS are required to match those of the central diphoton system. Only events having opposite-side forward protons detected with a fractional momentum loss between 0.035 and 0.15 (0.18) for the detectors on the negative (positive) side of CMS are considered. One exclusive diphoton candidate is observed for an expected background of 1.1 events. Limits at 95% confidence level are derived for the four-photon anomalous coupling parameters |ζ1|<0.073 TeV−4 and |ζ2|<0.15 TeV−4, using an effective field theory. Additionally, upper limits are placed on the production of axionlike particles with coupling strength to photons f−1 that varies from 0.03 TeV−1 to 1 TeV−1 over the mass range from 500 to 2000 GeV. © 2024 CERN, for the CMS and TOTEMs Collaboration 2024 CERN

Charged Particles Capture Cross-Section by a Weakly Charged Schwarzschild Black Hole

Abstract We study the capture cross-section of charged particles by a weakly charged Schwarzschild black hole. The dependence of the maximum impact parameter for capture on the particle's energy is investigated numerically for different values of the electromagnetic coupling strength between the particle and the black hole. The capture cross-section is then calculated. We show that the capture cross-section is independent of the electromagnetic coupling for ultra-relativistic particles. The astrophysical implications of our results are discussed.

Role of complexity on the minimal deformation of black holes

Abstract We investigate spherically symmetric classes of anisotropic
solutions within the realm of a schematic gravitational decoupling scheme, primarily decoupling through minimal geometric
deformation, applied to non-rotating, ultra-compact,
self-gravitational fluid distributions. In this respect, we employ
the minimal complexity factor scheme
to generate physically realistic models for
anisotropic matter distributions, using a well-behaved model. The zero-complexity factor condition enables us to
determine the deformation function for solving the decoupled system.
We explore all the structure-defining scalar variables, such as
density inhomogeneity, strong energy
condition, density homogeneity, and the complexity factor (an alloy of
density inhomogeneity and pressure anisotropy) for the decoupling
constant ranging between $0$ and $1$. We observe that the anisotropy vanishes when the coupling constant is set to unity. This finding holds significance as it implies that, in the context of a zero-complexity factor approach, an anisotropic matter distribution becomes perfect without requiring any isotropy requirements. This work effectively explored the impact of complexity on the composition of self-gravitational stellar distributions. This effective approach enables the development of new, physically realistic isotropic stellar models for anisotropic matter distributions. Additionally, our findings indicate that the complexity factor in static, spherically symmetric self-gravitational objects can significantly affect the nature of the matter distribution within these systems. It is concluded that the minimally deformed Durgapal-IV model features an increasing pressure profile, and the local anisotropy of pressure vanishes throughout the model under complexity-free conditions.

Tracy-Widom Distribution in Four-Dimensional Supersymmetric Yang-Mills Theories

Various observables in different four-dimensional superconformal Yang-Mills theories can be computed exactly as Fredholm determinants of truncated Bessel operators. We exploit this relation to determine their dependence on the ’t Hooft coupling constant. Unlike the weak coupling expansion, which has a finite radius of convergence, the strong coupling expansion is factorially divergent, necessitating the inclusion of nonperturbative, exponentially small corrections. We develop a method to systematically compute these corrections and discuss the resurgent properties of the resulting transseries. Published by the American Physical Society 2024

Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density.

A method for computing spin-spin coupling constants (SSCCs) using the reference interaction site model self-consistent field with constrained spatial electron density (RISM-SCF-cSED) is proposed for the first time. Describing solvents using integral equation theory allows us to reflect solvent effects at atomic resolution in SSCCs while accounting for thermal fluctuations at a low computational cost. Applying the method to water, 1,1-difluoroethylene, and 1-methylaminomethylene-2-naphthalenone revealed that the solvent shift was evaluated to a greater extent than in the continuum solvent model. The origin of this phenomenon was analyzed in terms of the physical mechanisms underlying SSCCs.

Regulation of chiral structure and spin polarization by circularly polarized light and electric field in copolymers

Combining chirality with ferromagnetism is challenging in organic materials and may bring potential application for the cross-integration of multiple disciplines. In this work, we achieved the intrinsic coexistence of chirality and spontaneous spin polarization in the diblock copolymers, where left-handed and right-handed circularly polarized lights present tunability on both the circular dichroism and spin polarization. Without electron dependence of transport in chiral copolymer, chirality is still coupled with spin. The phenomenon observed here is not the traditional chirality induced spin selectivity effect. Moreover, the electric field could also effectively tune the chirality dependence of circular dichroism to further affect the magnitude of spin polarization. Thus, a strong relationship between the chirality and spin polarization is formed in chiral copolymers. In addition, because of the different molecular packing for chiral enantiomers, electron–phonon coupling strengths are different to lead to a difference in spin polarization. Overall, the properties of chirality, spontaneous spin polarization, and photon-chirality-spin coupling are developed and studied, which effectively promotes the ability of potential applications of chiral copolymers.

Unraveling relationship between complex lifetimes and microscopic diffusion in deep eutectic solvents.

Aqueous mixtures of deep eutectic solvents (DESs) have emerged as a subject of interest in recent years for their tailored physicochemical properties. However, a comprehensive understanding of water's multifaceted influence on the microscopic dynamics, including its impact on improved transport properties of the DES, remains elusive. Additionally, the diffusion mechanisms within DESs manifest heterogeneous behavior, intricately tied to the formation and dissociation kinetics of complexes and hydrogen bonds. Therefore, it is imperative to explore the intricate interplay between bond kinetics, diffusion mechanism, and dynamical heterogeneity. This work employs water as an agent to explore their relationships by studying various relaxation phenomena in a DES based on acetamide and lithium perchlorate over a wide range of water concentrations. Notably, acetamide exhibits Fickian yet non-Gaussian diffusion across all water concentrations with Fickian (τf) and Gaussian (τg) timescales following a power-law relationship, τg∝τfγ, γ ∼ 1.4. The strength of coupling between bond kinetics and different diffusion timescales is estimated through various power-law relationships. Notably, acetamide-water hydrogen bond lifetime is linked to diffusive timescales through a single power-law over the entire water concentration studied. However, the relationship between diffusive timescales and the lifetime of acetamide-lithium complexes shows a sharp transition in behavior at 20 wt. % water, reflecting a change from vehicular diffusion below this concentration to structural diffusion above it. Our findings emphasize the critical importance of understanding bond dynamics within DESs, as they closely correlate with and regulate the molecular diffusion processes within these systems.