Search results for "atomic"

Theoretical Study of the Electronic Spectrum of trans-Stilbene

1997

The electronic spectrum of trans-stilbene in the energy range up to 6 eV has been studied using multiconfigurational second-order perturbation theory (CASPT2). The study includes a geometry determination of the ground state. In all, 12 singlet and one triplet excited states were studied. The calculated spectrum makes it possible to assign the valence excited singlet states corresponding to the three bands observed in the low-energy region of the one-photon absorption spectrum. The most intense feature of the calculated spectrum corresponds to the 11Ag → 21Bu transition at 4.07 eV. The weakly allowed 11Bu state was found 0.3 eV below 21Bu. Transition to the 31Ag state, computed at 4.95 eV, i…

Paschen β line shape studies in low-temperature plasmas

2003

Line shape calculations and measurements of the Paschen β line of hydrogen (λ=12818 Å) are reported. Measurements were performed at electron densities of the plasma between 1015 cm-3 and 1016 cm-3. A wall-stabilized arc operated at atmospheric pressure in a helium-hydrogen gas mixture was applied as the excitation source. The radiation of the plasma, originating from nearly homogeneous plasma layers, in the end-on direction, was analyzed. A grating spectrometer equipped with a CCD detector was used for the radiation detection. The measured line profiles are compared with results of available experimental and theoretical Stark broadening data e.g. based on simulation techniques, applied also…

Appendix: Feynman rules

2010

Generalized symmetries in nanostructure simulations

2009

Water-Soluble Cuprizone Derivative: Synthesis, Characterization, and in Vitro Studies

2019

The cuprizone mouse model is one of the most accepted model systems for the investigation of oligodendrocyte degeneration, a process critically involved in the pathogenesis of diseases such as multiple sclerosis or schizophrenia. In order to substitute the in vivo experiments by in vitro approaches, the amine derivative BiMPi is introduced as a water-soluble alternative to cuprizone. Regarding superoxide dismutase activity, toxicity for oligodendrocytes, and disturbance of mitochondrial membrane potential, BiMPi shows similar in vitro effects as is observed in vivo for cuprizone. peerReviewed

How and Why to Start and Run a SIGCHI Local Chapter

2015

There is a vast and increasing interest towards local HCI communities around the globe and in particular on geographical areas in which HCI has only recently started to gain increasing interest by local industries as well as academic institutions. A SIGCHI Local Chapter is one of the ways a local HCI community can organize and get visibility and support for their activities. However, many active volunteers in this field might not be aware of this possibility. The main goal of the Chapters' SIG in CHI'15 is to inform interested parties of SIGCHI Local Chapters and to find ways in which SIGCHI could better support local HCI communities with their various needs all over the world.

High-precision measurement of the mass difference between 102Pd and 102Ru

2019

Abstract The Q-value for the neutrinoless double electron capture on 102Pd, Qϵϵ(102Pd), is determined as the atomic mass difference between 102Pd and 102Ru. A precise measurement of the Qϵϵ(102Pd) at the SHIPTRAP Penning trap showed a more than 10σ deviation to the adopted Atomic Mass Evaluation (AME) value. The reliability of the SHIPTRAP measurement was challenged because the AME value was based on numerous experiments including β and electron capture decays and very precise (n, γ) data, all agreeing with each other. To solve the discrepancy, the Qϵϵ(102Pd) has now been determined with the JYFLTRAP Penning trap at the IGISOL facility in the Accelerator Laboratory of the University of Jyva…

Theoretical Analysis of the M12Ag32(SR)404– and X@M12Ag32(SR)304– Nanoclusters (M = Au, Ag; X = H, Mn)

2014

We analyze the electronic structure and optical properties of the recently reported, structurally known M12Ag32(SR)304– clusters (M = Au, Ag) by using density functional theory and time-dependent density functional perturbation theory. Effects of the chemical changes in the metal core, charge of the cluster, and nature of the thiolate ligand on the electronic structure and optical absorption are reported. In addition, doping the metal core with a magnetic transition metal atom (Mn) or hydrogen (protons) is discussed. Although all these clusters can be considered as 18-electron superatoms with a shell configuration 1S2 1P6 1D10, we find that the optical spectrum is sensitive to the charge st…

Effect of Ion Escape Velocity and Conversion Surface Material on H- Production

2011

According to generally accepted models surface production of negative ions depends on ion escape velocity and work function of the surface. We have conducted an experimental study addressing the role of the ion escape velocity on H− production. A converter‐type ion source at Los Alamos Neutron Science Center was employed for the experiment. The ion escape velocity was affected by varying the bias voltage of the converter electrode. It was observed that due to enhanced stripping of H− no direct gain of extracted beam current can be achieved by increasing the converter voltage. The conversion efficiency of H− was observed to vary with converter voltage and follow the existing theories in qual…

TDDFT Analysis of Optical Properties of Thiol Monolayer-Protected Gold and Intermetallic Silver–Gold Au144(SR)60 and Au84Ag60(SR)60 Clusters

2014

The optical absorption spectra of atomistic model structures for experimentally isolated all-gold Au144(SR)60 and intermetallic Au84Ag60(SR)60 clusters are systematically analyzed from linear-response time-dependent density functional theory (LR-TDDFT) and time-dependent density functional perturbation theory (TD-DFPT) calculations. The computed spectra, utilizing the atomistic model for Au144(SR)60 published by us in 2009, reproduce closely the experimental observations for corresponding isolated compounds, reported previously by Kumara and Dass in 2011. A collective dipole oscillation within the metal cores of the all-gold and intermetallic clusters is formed as response to light in the v…