Fabio Caruso, 2 Patrick Rinke, 2 Xinguo Ren, 2 Angel Rubio, 1, 2 and Matthias Scheffler 2 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany European Theoretical Spectroscopy Facility Nano-Bio Spectroscopy group and ETSF Scientific Development Centre, Dpto. F́ısica de Materiales, Universidad del Páıs Vasco, CFM CSIC-UPV/EHU-MPC and DIPC, Av. Tolosa 72, E-20...

First-principles calculations combining density functional theory and many-body perturbation theory can provide microscopic insight into the dynamics of electrons and phonons in materials. We review this theoretical and computational framework, focusing on perturbative treatments of scattering, dynamics and transport of coupled electrons and phonons. We discuss application of these first-princi...

Lifetimes of hydrogen and deuterium related stretch modes in Si are measured by high-resolution infrared absorption spectroscopy and transient bleaching spectroscopy. The lifetimes are found to be extremely dependent on the defect structure, ranging from 2 to 295 ps. Against conventional wisdom, we find that lifetimes of Si-D modes typically are longer than for the corresponding Si-H modes. The...

A re-investigation of subaerial parts of Leontodon cichoraceus (Ten.) Sanguin. yielded the new germacrane-type sesquiterpenoid 15-beta-D-glucopyranosyl-8-[p-(beta-D-glucopyranosyloxy)phenylacetyl]-salonitenolide. The structure was established by APCI mass spectrometry and 1D- and 2D-NMR spectroscopy. A survey by HPLC-DAD and HPLC-MS gave no signs of this compound in 23 other taxa of Leontodon.

Lattice QCD results on the spectroscopy of charmonium(like) states and open charm mesons are reviewed. Near-threshold states X(3872) and D s0(2317) were treated rigorously for the first time and the searches for Z c (3900), X(4140) and ccud were carried out. The first simulations of the resonances with charm quarks have been performed, including the determination of their strong decay widths. S...

An acidic polysaccharide was obtained from Psychrobacter maritimus 3pS isolated from a Siberian cryopeg sample (Kolyma lowland). The following structure of the tetrasaccharide repeating unit of the polysaccharide was established by sugar analysis along with (1)H and (13)C NMR spectroscopy: →2)-α-L-Rhap-(1→4)-α-D-GalpNAcA-(1→3)-α-D-QuipNAc4NHb-(1→3)-β-D-QuipNAc4NHb-(1→ where D-GalNAcA indicates ...

Fluorescence Correlation Spectroscopy (FCS) yields measurement parameters (number of molecules, diffusion time) that characterize the concentration and kinetics of fluorescent molecules within a supposedly known observation volume. Absolute derivation of concentrations and diffusion constants therefore requires preliminary calibrations of the confocal Point Spread Function with phantom solution...

The large data sample accumulated at the KEKB storage ring allows for dedicated analysis in charm spectroscopy. This made the first observations of e.g. the broad D∗∗ resonances in B decays as well as other processes possible. The observation of the DsJ(2317) resonances are confirmed and indications of their quantum numbers are given. The fragmentation function for D has been measured with unpr...

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