Search results for " Clusters"
showing 10 items of 1091 documents
Search for a heavy top-quark partner in final states with two leptons with the ATLAS detector at the LHC
2012
The results of a search for direct pair production of heavy top-quark partners in 4.7 fb[superscript −1] of integrated luminosity from pp collisions at s√ = 7 TeV collected by the ATLAS detector at the LHC are reported. Heavy top-quark partners decaying into a top quark and a neutral non-interacting particle are searched for in events with two leptons in the final state. No excess above the Standard Model expectation is observed. Limits are placed on the mass of a supersymmetric scalar top and of a spin-1/2 top-quark partner. A spin-1/2 top-quark partner with a mass between 300 GeV and 480 GeV, decaying to a top quark and a neutral non-interacting particle lighter than 100 GeV, is excluded …
Search for anomalous top-quark couplings with the D0 detector
2008
Anomalous Wtb couplings modify the angular correlations of the top quark decay products and change the single top quark production cross section. We present limits on anomalous top quark couplings by combining information from W boson helicity measurements in top quark decays and anomalous coupling searches in the single top quark final state. We set limits on right-handed vector couplings as well as left-handed and right-handed tensor couplings based on about 1fb^-1 of data collected by the D0 experiment.
Stark ionization of atoms and molecules within density functional resonance theory
2013
We show that the energetics and lifetimes of resonances of finite systems under an external electric field can be captured by Kohn–Sham density functional theory (DFT) within the formalism of uniform complex scaling. Properties of resonances are calculated self-consistently in terms of complex densities, potentials, and wave functions using adapted versions of the known algorithms from DFT. We illustrate this new formalism by calculating ionization rates using the complex-scaled local density approximation and exact exchange. We consider a variety of atoms (H, He, Li, and Be) as well as the H2 molecule. Extensions are briefly discussed.
UV photoexcitation of a dissolved metalloid Ge9 cluster compound and its extensive ultrafast response.
2015
Femtosecond pump-probe absorption spectroscopy in tetrahydrofuran solution has been used to investigate the dynamics of a metalloid cluster compound {Ge9[Si(SiMe3)3]3}(-). Upon UV photoexcitation, the transients in the near-infrared spectral region showed signatures reminiscent of excess electrons in THF (bound or quasi-free) whereas in the visible part excited state dynamics of the cluster complex dominates.
Electron Delocalization and Electrostatic Repulsion at the Origin of the Strong Spin Coupling in Mixed-Valence Keggin Polyoxometalates: Ab Initio Cal…
2004
International audience; Cet article détaille une procédure générale qui associe l′évaluation de paramètres microscopiques et la prédiction de propriétés macroscopiques. Les principales interactions entre les électrons délocalisés sur des polyoxométalates à valence mixte sont extraites à partir du calcul de la spectroscopie de valence de fragments immergés dans un bain qui reproduit les principaux effets du reste du cristal sur le fragment considéré. Nous avons extrait non seulement la valeur du transfert électronique, du couplage magnétique et du paramètre de "exchange-transfer" entre ions métalliques premiers et seconds voisins, mais encore la valeur de la répulsion électrostatique entre l…
Chemical effect on the XPS spectra of the valence band and on O KLL and Pd MNN Auger spectra in pumice-supported catalysts
1992
X-ray photoelectron spectra of the valence band and X-ray-excited O KLL Auger transition of pumice-supported Pd and Pt catalysts have been obtained and compared to the corresponding spectra of pumice (a naturally occurring amorphous aluminosilicate). The changes observed indicate interaction between metal and support. The valence region of the catalysts consists of three large peaks: one due to the d band of the metals and the other to the O 2p non-bonding orbitals and bonding-type orbitals formed by a mixing of the atomic orbitals (O 2p, Si 3s and Si 3p) of oxygen and silicon from the support. The intensity decrease of the component due to the bonding orbitals, observed in the catalyst spe…
Mixed-Valence Molecular Unit for Quantum Cellular Automata: Beyond the Born-Oppenheimer Paradigm through the Symmetry-Assisted Vibronic Approach.
2016
In this article, we focus on the electron-vibrational problem of the tetrameric mixed-valence (MV) complexes proposed for implementation as four-dot molecular quantum cellular automata (mQCA).1 Although the adiabatic approximation explored in ref 2 is an appropriate tool for the qualitative analysis of the basic characteristics of mQCA, like vibronic trapping of the electrons encoding binary information and cell-cell response, it loses its accuracy providing moderate vibronic coupling and fails in the description of the discrete pattern of the vibronic levels. Therefore, a precise solution of the quantum-mechanical vibronic problem is of primary importance for the evaluation of the shapes o…
Localisation vs. delocalisation in the dimeric mixed-valence clusters in the generalised vibronic model. Magnetic manifestations
1999
Abstract The problem of localisation–delocalisation in the dimeric mixed-valence clusters is considered in the framework of the generalised vibronic model. The model takes into account both the local vibrations on the metal sites (Piepho–Krausz–Schatz model) and the multicenter (molecular) vibrations changing the intermetallic distances (as suggested by Piepho). In the framework of the semiclassical adiabatic approach the potential surfaces are analysed and different kinds of localised and delocalised states are found. On the basis of the calculated degrees of the localisation the conventional Robin and Day classification of mixed-valence compounds is reconsidered in view of the generalised…
Mixed‐valence trinuclear manganese clusters : Influence of the electronic transfer on the magnetic properties
1990
The magnetic behavior of mixed‐valence trinuclear clusters d4‐d4‐d5 is discussed on the basis of a model which takes into account valence delocalization and Heisenberg exchange. This model considers the competing effect between the electronic transfer and the localization of the extra electron due to an asymmetry of the triangular entity. The magnetic properties of the mixed‐valence oxo‐centered Mn(II)‐Mn(III)‐Mn(III) complexes formulated as Mn3O(O2CR)6L3 (R=Me, L=pyridine) are discussed on the basis of the developed model, supporting a significant intramolecular electron transfer. A comparison of these results to those previously reported by assuming a valence‐trapped model is given. Carlo…
Magnetic mixed-valence d2-d1-d1 trimers with partial electron delocalization: vibronic coupling and magnetic properties
1993
Abstract The energy levels and magnetic properties of a triangular mixed-valence cluster d1-d1-d2 with electron delocalization in a pair of sites are examined from a model that takes into account electron transfer, magnetic exchange, and vibronic coupling. We show that the electron transfer process involves besides the usual double-exchange parameter, and additional parameter referred to as exchange transfer. This last parameter accounts for the interaction between the moving electron of the mixed valence pair and the electron localized in the third side. We notice that the role of double exchange is to stabilize a ferromagnetic alignment of the spins on the mixed-valence pair. A comparison…