Application of time-dependent density-functional theory to electron-ion couplng in ethylene

To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The observed optical transition strength at 7-8.5 eV region shows a complex structure arising from coupling to C-C stretch motion, to torsional motion, and to Rydberg excitations. The mean energy of the observed peak is reproduced to about 0.2 eV accuracy by the TDDFT in the local density approximation (LDA). The reflection approximation is used to calculate the peak broadening. Roughly half of the broadening can be attributed to the fluctuation in the C-C coordinate. The asymmetry in the line shape is also qualitatively reproduced by the C-C coordinate fluctuation. We find, in agreement with other theoretical studies, that the torsional motion is responsible for the progression of weak transition strength extending from the peak down to about 6 eV. The LDA reproduces the strength in this region to about factor of 3. We conclude that the TDDFT is rather promising for calculating the electron nucleus coupling at short times.Comment: 14 pages and 4 figures: an error is corrected in Table

A Grassmann algebra for matroids

We introduce an idempotent analogue of the exterior algebra for which the theory of tropical linear spaces (and valuated matroids) can be seen in close analogy with the classical Grassmann algebra formalism for linear spaces. The top wedge power of a tropical linear space is its Plucker vector, which we view as a tensor, and a tropical linear space is recovered from its Plucker vector as the kernel of the corresponding wedge multiplication map. We prove that an arbitrary d-tensor satisfies the tropical Plucker relations (valuated exchange axiom) if and only if the d-th wedge power of the kernel of wedge-multiplication is free of rank one. This provides a new cryptomorphism for valuated matroids, including ordinary matroids as a special case

Measurement of Magnetic Exchange in Asymmetric Lanthanide Dimetallics: Toward a Transferable Theoretical Framework

Magnetic exchange interactions within the asymmetric dimetallic compounds [hqH2][Ln2(hq)4(NO3)3]∙MeOH, (Ln = Er(III) and Yb(III), hqH = 8-hydroxyquinoline) have been directly probed with EPR spectroscopy and accurately modelled by spin Hamiltonian techniques. Exploitation of site selectivity via doping experiments in Y(III) and Lu(III) matrices yields simple EPR spectra corresponding to isolated Kramers doublets, allowing determination of the local magnetic properties of the individual sites within the dimetallic compounds. CASSCF-SO calculations, INS and far-IR measurements are all employed to further support the identification and modelling of the local electronic structure for each site. EPR spectra of the pure dimetallic compounds are highly featured and correspond to transitions within the lowest-lying exchange-coupled manifold, permitting determination of the highly anisotropic magnetic exchange between the lanthanide ions. We find a unique orientation for the exchange interaction, corresponding to a common elongated oxygen bridge for both isostructural analogs. This suggests a microscopic physical connection to the magnetic superexchange. These results are of fundamental importance for building and validating model microscopic Hamiltonians to understand the origins of magnetic interactions between lanthanides and how they may be controlled with chemistr

The Compact Linear Collider (CLIC) - 2018 Summary Report

The Compact Linear Collider (CLIC) is a TeV-scale high-luminosity linear $e^+e^-$ collider under development at CERN. Following the CLIC conceptual design published in 2012, this report provides an overview of the CLIC project, its current status, and future developments. It presents the CLIC physics potential and reports on design, technology, and implementation aspects of the accelerator and the detector. CLIC is foreseen to be built and operated in stages, at centre-of-mass energies of 380 GeV, 1.5 TeV and 3 TeV, respectively. CLIC uses a two-beam acceleration scheme, in which 12 GHz accelerating structures are powered via a high-current drive beam. For the first stage, an alternative with X-band klystron powering is also considered. CLIC accelerator optimisation, technical developments and system tests have resulted in an increased energy efficiency (power around 170 MW) for the 380 GeV stage, together with a reduced cost estimate at the level of 6 billion CHF. The detector concept has been refined using improved software tools. Significant progress has been made on detector technology developments for the tracking and calorimetry systems. A wide range of CLIC physics studies has been conducted, both through full detector simulations and parametric studies, together providing a broad overview of the CLIC physics potential. Each of the three energy stages adds cornerstones of the full CLIC physics programme, such as Higgs width and couplings, top-quark properties, Higgs self-coupling, direct searches, and many precision electroweak measurements. The interpretation of the combined results gives crucial and accurate insight into new physics, largely complementary to LHC and HL-LHC. The construction of the first CLIC energy stage could start by 2026. First beams would be available by 2035, marking the beginning of a broad CLIC physics programme spanning 25-30 years

Cyclic operad formality for compactified moduli spaces of genus zero surfaces

The framed little 2-discs operad is homotopy equivalent to the Kimura-Stasheff-Voronov cyclic operad of moduli spaces of genus zero stable curves with tangent rays at the marked points and nodes. We show that this cyclic operad is formal, meaning that its chains and its homology (the Batalin-Vilkovisky operad) are quasi-isomorphic cyclic operads. To prove this we introduce a new complex of graphs in which the differential is a combination of edge deletion and contraction, and we show that this complex resolves BV as a cyclic operad

Formality of the framed little 2-discs operad and semidirect products

We prove that the operad of framed little 2-discs is formal. Tamarkin and Kontsevich each proved that the unframed 2-discs operad is formal. The unframed 2-discs is an operad in the category of S^1-spaces, and the framed 2-discs operad can be constructed from the unframed 2-discs by forming the operadic semidirect product with the circle group. The idea of our proof is to show that Kontsevich's chain of quasi-isomorphisms is compatible with the circle actions and so one can essentially take the operadic semidirect product with the homology of S^1 everywhere to obtain a chain of quasi-isomorphisms between the homology and the chains of the framed 2-discs.Comment: 6 page

VANISHING OF UNIVERSAL CHARACTERISTIC CLASSES FOR HANDLEBODY GROUPS AND BOUNDARY BUNDLES

Using certain Thom spectra appearing in the study of cobordism categories, we show that the odd half of the Miller-Morita-Mumford classes on the mappping class group of a surface with negative Euler characteristic vanish in integral cohomology when restricted to the handlebody subgroup. This is a special case of a more general theorem valid in all dimensions: universal characteristic classes made from monomials in the Pontrjagin classes (and even powers of the Euler class) vanish when pulled back from BDiff(\partial W) to BDiff(W).Comment: 9 pages, final version to appear in JHR