Supramolecular interactions in clusters of polar and polarizable molecules

We present a model for molecular materials made up of polar and polarizable molecular units. A simple two state model is adopted for each molecular site and only classical intermolecular interactions are accounted for, neglecting any intermolecular overlap. The complex and interesting physics driven by interactions among polar and polarizable molecules becomes fairly transparent in the adopted model. Collective effects are recognized in the large variation of the molecular polarity with supramolecular interactions, and cooperative behavior shows up with the appearance, in attractive lattices, of discontinuous charge crossovers. The mean-field approximation proves fairly accurate in the description of the gs properties of MM, including static linear and non-linear optical susceptibilities, apart from the region in the close proximity of the discontinuous charge crossover. Sizeable deviations from the excitonic description are recognized both in the excitation spectrum and in linear and non-linear optical responses. New and interesting phenomena are recognized near the discontinuous charge crossover for non-centrosymmetric clusters, where the primary photoexcitation event corresponds to a multielectron transfer.Comment: 14 pages, including 11 figure

Combination of searches for Higgs boson pairs in pp collisions at \sqrts = 13 TeV with the ATLAS detector

This letter presents a combination of searches for Higgs boson pair production using up to 36.1 fb(-1) of proton-proton collision data at a centre-of-mass energy root s = 13 TeV recorded with the ATLAS detector at the LHC. The combination is performed using six analyses searching for Higgs boson pairs decaying into the b (b) over barb (b) over bar, b (b) over barW(+)W(-), b (b) over bar tau(+)tau(-), W+W-W+W-, b (b) over bar gamma gamma and W+W-gamma gamma final states. Results are presented for non-resonant and resonant Higgs boson pair production modes. No statistically significant excess in data above the Standard Model predictions is found. The combined observed (expected) limit at 95% confidence level on the non-resonant Higgs boson pair production cross-section is 6.9 (10) times the predicted Standard Model cross-section. Limits are also set on the ratio (kappa(lambda)) of the Higgs boson self-coupling to its Standard Model value. This ratio is constrained at 95% confidence level in observation (expectation) to -5.0 &lt; kappa(lambda) &lt; 12.0 (-5.8 &lt; kappa(lambda) &lt; 12.0). In addition, limits are set on the production of narrow scalar resonances and spin-2 Kaluza-Klein Randall-Sundrum gravitons. Exclusion regions are also provided in the parameter space of the habemus Minimal Supersymmetric Standard Model and the Electroweak Singlet Model. For complete list of authors see http://dx.doi.org/10.1016/j.physletb.2019.135103</p

Prompt and non-prompt J/psi elliptic flow in Pb plus Pb collisions at root S-NN=5.02 TeV with the ATLAS detector

The elliptic flow of prompt and non-prompt J/ \u3c8 was measured in the dimuon decay channel in Pb+Pb collisions at sNN=5.02&nbsp;TeV with an integrated luminosity of 0.42nb-1 with the ATLAS detector at the LHC. The prompt and non-prompt signals are separated using a two-dimensional simultaneous fit of the invariant mass and pseudo-proper decay time of the dimuon system from the J/ \u3c8 decay. The measurement is performed in the kinematic range of dimuon transverse momentum and rapidity 9 &lt; pT&lt; 30 GeV , | y| &lt; 2 , and 0\u201360% collision centrality. The elliptic flow coefficient, v2, is evaluated relative to the event plane and the results are presented as a function of transverse momentum, rapidity and centrality. It is found that prompt and non-prompt J/ \u3c8 mesons have non-zero elliptic flow. Prompt J/ \u3c8v2 decreases as a function of pT, while for non-prompt J/ \u3c8 it is, with limited statistical significance, consistent with a flat behaviour over the studied kinematic region. There is no observed dependence on rapidity or centrality

Search for squarks and gluinos in final states with hadronically decaying tau-leptons, jets, and missing transverse momentum using pp collisions at root s = 13 TeV with the ATLAS detector

A search for supersymmetry in events with large missing transverse momentum, jets, and at least one hadronically decaying τ-lepton is presented. Two exclusive final states with either exactly one or at least two τ-leptons are considered. The analysis is based on proton-proton collisions at √s=13  TeV corresponding to an integrated luminosity of 36.1  fb⁻¹ delivered by the Large Hadron Collider and recorded by the ATLAS detector in 2015 and 2016. No significant excess is observed over the Standard Model expectation. At 95% confidence level, model-independent upper limits on the cross section are set and exclusion limits are provided for two signal scenarios: a simplified model of gluino pair production with τ-rich cascade decays, and a model with gauge-mediated supersymmetry breaking (GMSB). In the simplified model, gluino masses up to 2000 GeV are excluded for low values of the mass of the lightest supersymmetric particle (LSP), while LSP masses up to 1000 GeV are excluded for gluino masses around 1400 GeV. In the GMSB model, values of the supersymmetry-breaking scale are excluded below 110 TeV for all values of tanβ in the range 2 ≤ tanβ ≤ 60, and below 120 TeV for tanβ > 30.M. Aaboud … D. Duvnjak … P. Jackson … J.L. Oliver … A. Petridis … A. Qureshi … A.S. Sharma … M.J. White … et al. [The ATLAS Collaboration

A measurement of material in the ATLAS tracker using secondary hadronic interactions in 7 TeV pp collisions

Knowledge of the material in the ATLAS inner tracking detector is crucial in understanding the reconstruction of charged-particle tracks, the performance of algorithms that identify jets containing b-hadrons and is also essential to reduce background in searches for exotic particles that can decay within the inner detector volume. Interactions of primary hadrons produced in pp collisions with the material in the inner detector are used to map the location and amount of this material. The hadronic interactions of primary particles may result in secondary vertices, which in this analysis are reconstructed by an inclusive vertex-finding algorithm. Data were collected using minimum-bias triggers by the ATLAS detector operating at the LHC during 2010 at centre-of-mass energy √ s = 7 TeV, and correspond to an integrated luminosity of 19 nb−1 . Kinematic properties of these secondary vertices are used to study the validity of the modelling of hadronic interactions in simulation. Secondary-vertex yields are compared between data and simulation over a volume of about 0.7 m3 around the interaction point, and agreement is found within overall uncertainties

Optical spectra and Stokes shift in double-stranded helical supramolecular assemblies

We study the photoluminescence from helical MOPV4 aggregates using a model that includes excitonic coupling, exciton-phonon coupling, and spatially correlated disorder in the chromophore transition energies. The helical aggregates consist of stacked dimers of MOPV4 chromophores. We have modeled these helical stacks as double-stranded aggregates, allowing us to investigate the effect of correlated disorder within the dimers on emission. We have studied the dependence of the Stokes shift, the emission line widths, and the ratio of the 0-0 to 0-1 emission peaks on the aggregate size and disorder. Our findings show that this peak ratio is quite insensitive to the aggregate size if the latter exceeds the coherence length of the emitting exciton. This makes this ratio a reliable probe for both disorder and the coherence length of the emitting exciton. We have found only a weak dependence of this peak ratio on the degree of correlation between the transition energies within each dimer, whereas such correlation has a large effect on the aggregate-size-dependent Stokes shift. By comparison with experiment, we have estimated the coherence length of the emitting exciton to be only one lattice spacing along the stacking direction. From our analysis of the Stokes shift we conclude that the exciton diffusion length is in the range 6-13 nm

Probing excitation delocalization in supramolecular chiral stacks by means of circularly polarized light : experiment and modeling

Photoexcitations in helical aggregates of a functionalized, chiral oligophenylenevinylene (MOPV) are described going beyond the Born-Oppenheimer approxn., in the form of dressed (polaronic) Frenkel excitons. This allows for accurate modeling of the exptl. obsd. wavelength dependence of the circular polarization in fluorescence, which directly probes the non-adiabatic nature of the electron-vibration (EV) coupling in this system. The fluorescence photon is emitted from a nuclear geometry in which one MOPV and its two nearest neighbors have a nuclear equil. that differs appreciably from the ground state due to the presence of the excited state. The absorption and emission band shape and the CD are consistent with a coherence range of the emitting excitation of approx. two neighboring mols. Random fluctuations in the zero-order excited-state energy of the MOPVs (disorder) limit the exciton delocalization and can be described by a Gaussian distribution of energies with a width s = 0.12 eV and a spatial correlation length l0 ~ 5 mols. We find that disorder and EV coupling act synergistically in localizing the emitting exciton to a single MOPV in the aggregate with 95% probability. [on SciFinder (R)