Institute of Physics

The HITRAN database is a compilation of molecular spectroscopic parameters. It was established in the early 1970s and is used by various computer codes to predict and simulate the transmission and emission of light in gaseous media (with an emphasis on terrestrial and planetary atmospheres). The HITRAN compilation is composed of five major components: the line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, experimental infrared absorption cross-sections (for molecules where it is not yet feasible for representation in a line-by-line form), collision-induced absorption data, aerosol indices of refraction, and general tables (including partition sums) that apply globally to the data. This paper describes the contents of the 2020 quadrennial edition of HITRAN. The HITRAN2020 edition takes advantage of recent experimental and theoretical data that were meticulously validated, in particular, against laboratory and atmospheric spectra. The new edition replaces the previous HITRAN edition of 2016 (including its updates during the intervening years). All five components of HITRAN have undergone major updates. In particular, the extent of the updates in the HITRAN2020 edition range from updating a few lines of specific molecules to complete replacements of the lists, and also the introduction of additional isotopologues and new (to HITRAN) molecules: SO, CH3F, GeH4, CS2, CH3I and NF3. Many new vibrational bands were added, extending the spectral coverage and completeness of the line lists. Also, the accuracy of the parameters for major atmospheric absorbers has been increased substantially, often featuring sub-percent uncertainties. Broadening parameters associated with the ambient pressure of water vapor were introduced to HITRAN for the first time and are now available for several molecules. The HITRAN2020 edition continues to take advantage of the relational structure and efficient interface available at www.hitran.org and the HITRAN Application Programming Interface (HAPI). The functionality of both tools has been extended for the new edition.

The goal of this article is to present an introduction to loop quantum gravity -a background independent, non-perturbative approach to the problem of unification of general relativity and quantum physics, based on a quantum theory of geometry. Our presentation is pedagogical. Thus, in addition to providing a bird's eye view of the present status of the subject, the article should also serve as a vehicle to enter the field and explore it in detail. To aid non-experts, very little is assumed beyond elements of general relativity, gauge theories and quantum field theory. While the article is essentially self-contained, the emphasis is on communicating the underlying ideas and the significance of results rather than on presenting systematic derivations and detailed proofs. (These can be found in the listed references.) The subject can be approached in different ways. We have chosen one which is deeply rooted in well established physics and also has sufficient mathematical precision to ensure that there are no hidden infinities. In order to keep the article to a reasonable size, and to avoid overwhelming non-experts, we have had to leave out several interesting topics, results and viewpoints; this is meant to be an introduction to the subject rather than an exhaustive review of it.

In narrow-band systems electrons can interact with each other via a short-range nonretarded attractive potential. The origin of such an effective local attraction can be polaronic or it can be due to a coupling between electrons and excitons or plasmons. It can also result from purely chemical (electronic) mechanisms, especially in compounds with elements favoring disproportionation of valent states. These mechanisms are discussed and an exhaustive list of materials in which such local electron pairing occurs is given. The authors review the thermodynamic and electromagnetic properties of such systems in several limiting scenarios: (i) Systems with on-site pairing which can be described by the extended negative-$U$ Hubbard model. The strong-attraction limit of this model, at which it reduces to a system of tightly bound electron pairs (bipolarons) on a lattice, is extensively discussed. These electron pairs behaving as hard-core charged bosons can exhibit a superconducting state analogous to that of superfluid $^{4}\mathrm{He}$ II. The change-over from weak-attraction BCS-like superconductivity to the superfluidity of charged hard-core bosons is examined. (ii) Systems with intersite pairing described by an extended Hubbard model with $U>0$ and nearest-neighbor attraction and/or nearest-neighbor spin exchange as well as correlated hopping. (iii) A mixture of local pairs and itinerant electrons interacting via a charge-exchange mechanism giving rise to a mutually induced superconductivity in both subsystems. The authors discuss to what extent the picture of local pairing, and in particular superfluidity of hard-core charged bosons on a lattice, can be an explanation for the superconducting and normal-state properties of the high-${T}_{c}$ oxides: doped BaBi${\mathrm{O}}_{3}$ and the cuprates.

A mean-field model of ferromagnetism mediated by delocalized or weakly localized holes in zinc-blende and wurzite diluted magnetic semiconductors is presented. The model takes into account strong spin-orbit and $k\ensuremath{\cdot}p$ couplings in the valence band as well as the influence of strain upon the hole density of states. Possible effects of disorder and carrier-carrier interactions, particularly near the metal-to-insulator transition, are discussed. A quantitative comparison between experimental and theoretical results for (Ga,Mn)As demonstrates that the theory describes the values of the Curie temperatures observed in the studied systems as well as explaining the directions of the easy axes and the magnitudes of the corresponding anisotropy fields as a function of biaxial strain. Furthermore, the model reproduces the unusual sign, magnitude, and temperature dependence of the magnetic circular dichroism in the spectral region of the fundamental absorption edge. Chemical trends and various suggestions concerning design of ferromagnetic semiconductor systems are described.

Dalton is a powerful general-purpose program system for the study of molecular electronic structure at the Hartree-Fock, Kohn-Sham, multiconfigurational self-consistent-field, Møller-Plesset, configuration-interaction, and coupled-cluster levels of theory. Apart from the total energy, a wide variety of molecular properties may be calculated using these electronic-structure models. Molecular gradients and Hessians are available for geometry optimizations, molecular dynamics, and vibrational studies, whereas magnetic resonance and optical activity can be studied in a gauge-origin-invariant manner. Frequency-dependent molecular properties can be calculated using linear, quadratic, and cubic response theory. A large number of singlet and triplet perturbation operators are available for the study of one-, two-, and three-photon processes. Environmental effects may be included using various dielectric-medium and quantum-mechanics/molecular-mechanics models. Large molecules may be studied using linear-scaling and massively parallel algorithms. Dalton is distributed at no cost from http://www.daltonprogram.org for a number of UNIX platforms.

The T2K experiment observes indications of ν(μ) → ν(e) appearance in data accumulated with 1.43×10(20) protons on target. Six events pass all selection criteria at the far detector. In a three-flavor neutrino oscillation scenario with |Δm(23)(2)| = 2.4×10(-3) eV(2), sin(2)2θ(23) = 1 and sin(2)2θ(13) = 0, the expected number of such events is 1.5±0.3(syst). Under this hypothesis, the probability to observe six or more candidate events is 7×10(-3), equivalent to 2.5σ significance. At 90% C.L., the data are consistent with 0.03(0.04) < sin(2)2θ(13) < 0.28(0.34) for δ(CP) = 0 and a normal (inverted) hierarchy.

A measurement of the Higgs boson mass is presented based on the combined data samples of the ATLAS and CMS experiments at the CERN LHC in the H→γγ and H→ZZ→4ℓ decay channels. The results are obtained from a simultaneous fit to the reconstructed invariant mass peaks in the two channels and for the two experiments. The measured masses from the individual channels and the two experiments are found to be consistent among themselves. The combined measured mass of the Higgs boson is m_{H}=125.09±0.21 (stat)±0.11 (syst) GeV.

We review the present status of the Standard Model calculation of the anomalous magnetic moment of the muon. This is performed in a perturbative expansion in the fine-structure constant α and is broken down into pure QED, electroweak, and hadronic contributions. The pure QED contribution is by far the largest and has been evaluated up to and including O(α5) with negligible numerical uncertainty. The electroweak contribution is suppressed by (mμ∕MW)2 and only shows up at the level of the seventh significant digit. It has been evaluated up to two loops and is known to better than one percent. Hadronic contributions are the most difficult to calculate and are responsible for almost all of the theoretical uncertainty. The leading hadronic contribution appears at O(α2) and is due to hadronic vacuum polarization, whereas at O(α3) the hadronic light-by-light scattering contribution appears. Given the low characteristic scale of this observable, these contributions have to be calculated with nonperturbative methods, in particular, dispersion relations and the lattice approach to QCD. The largest part of this review is dedicated to a detailed account of recent efforts to improve the calculation of these two contributions with either a data-driven, dispersive approach, or a first-principle, lattice-QCD approach. The final result reads aμSM=116591810(43)×10−11 and is smaller than the Brookhaven measurement by 3.7σ. The experimental uncertainty will soon be reduced by up to a factor four by the new experiment currently running at Fermilab, and also by the future J-PARC experiment. This and the prospects to further reduce the theoretical uncertainty in the near future – which are also discussed here – make this quantity one of the most promising places to look for evidence of new physics.

Reactive oxygen species (ROS) can attack a diverse range of targets to exert antimicrobial activity, which accounts for their versatility in mediating host defense against a broad range of pathogens. Most ROS are formed by the partial reduction in molecular oxygen. Four major ROS are recognized comprising superoxide (O2•-), hydrogen peroxide (H2O2), hydroxyl radical (•OH), and singlet oxygen ((1)O2), but they display very different kinetics and levels of activity. The effects of O2•- and H2O2 are less acute than those of •OH and (1)O2, because the former are much less reactive and can be detoxified by endogenous antioxidants (both enzymatic and nonenzymatic) that are induced by oxidative stress. In contrast, no enzyme can detoxify •OH or (1)O2, making them extremely toxic and acutely lethal. The present review will highlight the various methods of ROS formation and their mechanism of action. Antioxidant defenses against ROS in microbial cells and the use of ROS by antimicrobial host defense systems are covered. Antimicrobial approaches primarily utilizing ROS comprise both bactericidal antibiotics and nonpharmacological methods such as photodynamic therapy, titanium dioxide photocatalysis, cold plasma, and medicinal honey. A brief final section covers reactive nitrogen species and related therapeutics, such as acidified nitrite and nitric oxide-releasing nanoparticles.

Combined ATLAS and CMS measurements of the Higgs boson production and decay rates, as well as constraints on its couplings to vector bosons and fermions, are presented. The combination is based on the analysis of five production processes, namely gluon fusion, vector boson fusion, and associated production with a W or a Z boson or a pair of top quarks, and of the six decay modes H → ZZ, W W , γγ, ττ, bb, and μμ. All results are reported assuming a value of 125.09 GeV for the Higgs boson mass, the result of the combined measurement by the ATLAS and CMS experiments. The analysis uses the CERN LHC proton-proton collision data recorded by the ATLAS and CMS experiments in 2011 and 2012, corresponding to integrated luminosities per experiment of approximately 5 fb$^{−1}$ at $\sqrt{s}$=7 TeV and 20 fb−1 at $\sqrt{s}$=8 TeV. The Higgs boson production and decay rates measured by the two experiments are combined within the context of three generic parameterisations: two based on cross sections and branching fractions, and one on ratios of coupling modifiers. Several interpretations of the measurements with more model-dependent parameterisations are also given. The combined signal yield relative to the Standard Model prediction is measured to be 1.09 ± 0.11. The combined measurements lead to observed significances for the vector boson fusion production process and for the H → ττ decay of 5.4 and 5.5 standard deviations, respectively. The data are consistent with the Standard Model predictions for all parameterisations considered.

Ultrahigh-resolution optical coherence tomography uses broadband light sources to achieve axial image resolutions on the few micron scale. Fourier domain detection methods enable more than an order of magnitude increase in imaging speed and sensitivity, thus overcoming the sensitivity limitations inherent in ultrahigh-resolution OCT using standard time domain detection. Fourier domain methods also provide direct access to the spectrum of the optical signal. This enables automatic numerical dispersion compensation, a key factor in achieving ultrahigh image resolutions. We present ultrahigh-resolution, high-speed Fourier domain OCT imaging with an axial resolution of 2.1 ìm in tissue and 16,000 axial scans per second at 1024 pixels per axial scan. Ultrahigh-resolution spectral domain OCT is shown to provide a ~100x increase in imaging speed when compared to ultrahigh-resolution time domain OCT. In vivo imaging of the human retina is demonstrated. We also present a general technique for automatic numerical dispersion compensation, which is applicable to spectral domain as well as swept source embodiments of Fourier domain OCT.

We compare different procedures for combining fixed-order tree-level matrix-element generators with parton showers. We use the case of W-production at the Tevatron and the LHC to compare different implementations of the so-called CKKW and MLM schemes using different matrix-element generators and different parton cascades. We find that although similar results are obtained in all cases, there are important differences.

This review compiles results of experimental and theoretical studies on thin films and quantum structures of semiconductors with randomly distributed Mn ions, which exhibit spintronic functionalities associated with collective ferromagnetic spin ordering. Properties of $p$-type Mn-containing III-V as well as II-VI, IV-VI, ${V}_{2}\text{\ensuremath{-}}{\mathrm{VI}}_{3}$, I-II-V, and elemental group IV semiconductors are described, paying particular attention to the most thoroughly investigated system (Ga,Mn)As that supports the hole-mediated ferromagnetic order up to 190 K for the net concentration of Mn spins below 10%. Multilayer structures showing efficient spin injection and spin-related magnetotransport properties as well as enabling magnetization manipulation by strain, light, electric fields, and spin currents are presented together with their impact on metal spintronics. The challenging interplay between magnetic and electronic properties in topologically trivial and nontrivial systems is described, emphasizing the entangled roles of disorder and correlation at the carrier localization boundary. Finally, the case of dilute magnetic insulators is considered, such as (Ga,Mn)N, where low-temperature spin ordering is driven by short-ranged superexchange that is ferromagnetic for certain charge states of magnetic impurities.

We consider the hydrodynamic regime of theories with quantum anomalies for global currents. We show that a hitherto discarded term in the conserved current is not only allowed by symmetries, but is in fact required by triangle anomalies and the second law of thermodynamics. This term leads to a number of new effects, one of which is chiral separation in a rotating fluid at nonzero chemical potential. The new kinetic coefficients can be expressed, in a unique fashion, through the anomaly coefficients and the equation of state. We briefly discuss the relevance of this new hydrodynamic term for physical situations, including heavy-ion collisions.

The combined results of ab initio electronic-structure calculations and spectroscopic investigations of jet-cooled molecules and clusters provide strong evidence of a surprisingly simple and general mechanistic picture of the nonradiative decay of biomolecules such as nucleic bases and aromatic amino acids. The key role in this picture is played by excited singlet states of πσ* character, which have repulsive potential-energy functions with respect to the stretching of OH or NH bonds. The 1πσ* potential-energy functions intersect not only the bound potential-energy functions of the 1ππ* excited states, but also that of the electronic ground state. Via predissociation of the 1ππ* states and a conical intersection with the ground state, the 1πσ* states trigger an ultrafast internal-conversion process, which is essential for the photostability of biomolecules. In protic solvents, the 1πσ* states promote a hydrogen-transfer process from the chromophore to the solvent. Calculations for chromophore–water clusters have shown that a spontaneous charge-separation process takes place in the solvent shell, yielding a microsolvated hydronium cation and a microsolvated electron. These results suggest that the basic mechanisms of the complex photochemistry of biomolecules in liquid water can be revealed by experimental and theoretical investigations of relatively small chromophore–water clusters.

In response to the 2013 Update of the European Strategy for Particle Physics, the Future Circular Collider (FCC) study was launched, as an international collaboration hosted by CERN. This study covers a highest-luminosity high-energy lepton collider (FCC-ee) and an energy-frontier hadron collider (FCC-hh), which could, successively, be installed in the same 100 km tunnel. The scientific capabilities of the integrated FCC programme would serve the worldwide community throughout the 21st century. The FCC study also investigates an LHC energy upgrade, using FCC-hh technology. This document constitutes the second volume of the FCC Conceptual Design Report, devoted to the electron-positron collider FCC-ee. After summarizing the physics discovery opportunities, it presents the accelerator design, performance reach, a staged operation scenario, the underlying technologies, civil engineering, technical infrastructure, and an implementation plan. FCC-ee can be built with today's technology. Most of the FCC-ee infrastructure could be reused for FCC-hh. Combining concepts from past and present lepton colliders and adding a few novel elements, the FCC-ee design promises outstandingly high luminosity. This will make the FCC-ee a unique precision instrument to study the heaviest known particles (Z, W and H bosons and the top quark), offering great direct and indirect sensitivity to new physics.

We calculate the mode-dependent transmission probability of massless Dirac fermions through an ideal strip of graphene (length L, width W, no impurities or defects) to obtain the conductance and shot noise as a function of Fermi energy. We find that the minimum conductivity of order e2/h at the Dirac point (when the electron and hole excitations are degenerate) is associated with a maximum of the Fano factor (the ratio of noise power and mean current). For short and wide graphene strips the Fano factor at the Dirac point equals 1/3, 3 times smaller than for a Poisson process. This is the same value as for a disordered metal, which is remarkable since the classical dynamics of the Dirac fermions is ballistic.

The adsorptive properties of graphene oxide (GO) towards divalent metal ions (copper, zinc, cadmium and lead) were investigated. GO prepared through the oxidation of graphite using potassium dichromate was characterized by scanning electron microscopy (SEM), powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and infrared spectroscopy (FT-IR). The results of batch experiments and measurements by flame atomic absorption spectrometry (F-AAS) indicate that maximum adsorption can be achieved in broad pH ranges: 3-7 for Cu(II), 5-8 for Zn(II), 4-8 for Cd(II), 3-7 for Pb(II). The maximum adsorption capacities of Cu(II), Zn(II), Cd(II) and Pb(II) on GO at pH = 5 are 294, 345, 530, 1119 mg g(-1), respectively. The competitive adsorption experiments showed the affinity in the order of Pb(II) > Cu(II) ≫ Cd(II) > Zn(II). Adsorption isotherms and kinetic studies suggest that sorption of metal ions on GO nanosheets is monolayer coverage and adsorption is controlled by chemical adsorption involving the strong surface complexation of metal ions with the oxygen-containing groups on the surface of GO. Chemisorption was confirmed by XPS (binding energy and shape of O1s and C1s peaks) of GO with adsorbed metal ions. The adsorption experiments show that the dispersibility of GO in water changes remarkably after complexation of metal ions. After adsorption, the tendency to agglomerate and precipitate is observed. Excellent dispersibility of GO and strong tendency of GO-Me(II) to precipitate open the path to removal of heavy metals from water solution. Potential application of GO in analytical chemistry as a solid sorbent for preconcentration of trace elements and in heavy metal ion pollution cleanup results from its maximum adsorption capacities that are much higher than those of any of the currently reported sorbents.

Dynamic properties, derived from dielectric relaxation spectra of glass-formers at variable temperature and pressure, are used to characterize and classify any resolved or unresolved secondary relaxation based on their different behaviors. The dynamic properties of the secondary relaxation used include: (1) the pressure and temperature dependences; (2) the separation between its relaxation time taubeta and the primary relaxation time taualpha at any chosen taualpha; (3) whether taubeta is approximately equal to the independent (primitive) relaxation time tau0 of the coupling model; (4) whether both taubeta and tau0 have the same pressure and temperature dependences; (5) whether it is responsible for the "excess wing" of the primary relaxation observed in some glass-formers; (6) how the excess wing changes on aging, blending with another miscible glass-former, or increasing the molecular weight of the glass-former; (7) the change of temperature dependence of its dielectric strength Deltaepsilonbeta and taubeta across the glass transition temperature Tg; (8) the changes of Deltaepsilonbeta and taubeta with aging below Tg; (9) whether it arises in a glass-former composed of totally rigid molecules without any internal degree of freedom; (10) whether only a part of the molecule is involved; and (11) whether it tends to merge with the alpha-relaxation at temperatures above Tg. After the secondary relaxations in many glass-formers have been characterized and classified, we identify the class of secondary relaxations that bears a strong connection or correlation to the primary relaxation in all the dynamic properties. Secondary relaxations found in rigid molecular glass-formers belong to this class. The secondary relaxations in this class play the important role as a precursor or local step of the primary relaxation, and we propose that only they should be called the Johari-Goldstein beta-relaxation.

During 2015 the ATLAS experiment recorded [Formula: see text] of proton-proton collision data at a centre-of-mass energy of [Formula: see text]. The ATLAS trigger system is a crucial component of the experiment, responsible for selecting events of interest at a recording rate of approximately 1 kHz from up to 40 MHz of collisions. This paper presents a short overview of the changes to the trigger and data acquisition systems during the first long shutdown of the LHC and shows the performance of the trigger system and its components based on the 2015 proton-proton collision data.