Search results for "ground"
showing 10 items of 2432 documents
Oligothienoacenes versus oligothiophenes: Impact of ring fusion on the optical properties
2010
The impact of backbone rigidity on the optical properties of thiophene-based compounds is studied by analyzing in detail the geometrical, electronic, optical and vibronic features of a family of oligothienoacenes (nnTAs) in comparison to non-fused α-oligothiophenes (nnTs) by means of quantum-chemical calculations. Ring fusion in nnTAs provokes a greater conjugation in the ground state. However, the change in the bond length alternation upon electronic excitation is very similar in both systems, which is also reflected in a similar evolution of the first optical transition energy with increasing oligomer size. Larger transition energies in nnTAsvs.nnTs arise from an electronic effect rather …
Test of the electric charge conservation law with Borexino detector
2015
International audience; The new limit on the electron lifetime is obtained from data of the Borexino experiment. The expected signal from the e → γν decay mode is a 256 keV photon detected in liquid scintillator. Because of the extremely low radioactive background level in the Borexino detector it was possible to improve the previous measurement by two orders of magnitude.
Levels of self-consistency in the GW approximation
2009
We perform $GW$ calculations on atoms and diatomic molecules at different levels of self-consistency and investigate the effects of self-consistency on total energies, ionization potentials and on particle number conservation. We further propose a partially self-consistent $GW$ scheme in which we keep the correlation part of the self-energy fixed within the self-consistency cycle. This approximation is compared to the fully self-consistent $GW$ results and to the $G W_0$ and the $G_0W_0$ approximations. Total energies, ionization potentials and two-electron removal energies obtained with our partially self-consistent $GW$ approximation are in excellent agreement with fully self-consistent $…
Mid-infrared intersubband absorption in lattice-matched AlInN/GaN multiple-quantum wells
2005
We report the observation of midinfrared intersubband (ISB) absorption in nearly lattice-matched AlInNGaN multiple-quantum-wells. A clear absorption peak is observed around 3 μm involving transitions from the conduction band ground state to the first excited state. In addition to ISB absorption, photoluminescence experiments were carried out on lattice- matched AlInNGaN single quantum wells in order to determine the spontaneous polarization discontinuity between GaN and Al0.82 In0.18 N compounds. The experimental value is in good agreement with theoretical predictions. Our results demonstrate that the AlInNGaN system is very promising to achieve crack-free and low dislocation density struct…
Sensitivity of the Cherenkov Telescope Array for probing cosmology and fundamental physics with gamma-ray propagation
2021
Full list of authors: Abdalla, H.; Abe, H.; Acero, F.; Acharyya, A.; Adam, R.; Agudo, I; Aguirre-Santaella, A.; Alfaro, R.; Alfaro, J.; Alispach, C.; Aloisio, R.; Batista, R. Alves; Amati, L.; Amato, E.; Ambrosi, G.; Anguner, E. O.; Araudo, A.; Armstrong, T.; Arqueros, F.; Arrabito, L.; Asano, K.; Ascasibar, Y.; Ashley, M.; Backes, M.; Balazs, C.; Balbo, M.; Balmaverde, B.; Baquero Larriva, A.; Martins, V. Barbosa; Barkov, M.; Baroncelli, L.; de Almeida, U. Barres; Barrio, J. A.; Batista, P-, I; Becerra Gonzalez, J.; Becherini, Y.; Beck, G.; Tjus, J. Becker; Belmont, R.; Benbow, W.; Bernardini, E.; Berti, A.; Berton, M.; Bertucci, B.; Beshley, V; Bi, B.; Biasuzzi, B.; Biland, A.; Bissaldi, …
Scaler mode technique for the ARGO-YBJ detector
2008
The ARGO-YBJ experiment has been designed to study the Extensive Air Showers with an energy threshold lower than that of the existing arrays by exploiting the high altitude location(4300 m a.s.l. in Tibet, P.R. China) and the full ground plane coverage. The lower energy limit of the detector (E $\sim$ 1 GeV) is reached by the scaler mode technique, i.e. recording the counting rate at fixed time intervals. At these energies, transient signals due to local (e.g. Forbush Decreases) and cosmological (e.g. Gamma Ray Bursts) phenomena are expected as a significant variation of the counting rate compared to the background. In this paper the performance of the ARGO-YBJ detector operating in scaler …
Ultrafast internal conversion of excited cytosine via the lowest pipi electronic singlet state.
2003
Computational evidence at the CASPT2 level supports that the lowest excited state pipi* contributes to the S1/S0 crossing responsible for the ultrafast decay of singlet excited cytosine. The computed radiative lifetime, 33 ns, is consistent with the experimentally derived value, 40 ns. The nOpi* state does not play a direct role in the rapid repopulation of the ground state; it is involved in a S2/S1 crossing. Alternative mechanisms through excited states pisigma* or nNpi* are not competitive in cytosine.
Quantum chemical modelling of polarons and perovskite solid solutions
2001
Abstract Following our previous study [J. Phys.: Condens. Matter 10 (1998) 6271] of a single Nb impurity and Nb clusters in KTaO 3 , we present results of the calculations for a series of perovskite KNb x Ta 1− x O 3 (KTN) solid solutions ( x =0, 0.125, 0.25, 0.75, 1). The quantum chemical method of the intermediate neglect of the differential overlap (INDO) combined with the large unit cell (LUC) periodic model is used. According to the INDO calculations, Nb impurity becomes off-center in KTaO 3 already at the lowest studied concentrations ( x =0.125), in a good agreement with XAFS measurements. We compare our results with previous ab initio FP-LMTO calculations. Quantum chemical calculati…
55-Atom clusters of silver and gold: Symmetry breaking by relativistic effects
2006
Abstract Anionic 55-atom clusters of gold and silver are studied using density functional theory, scalar relativistic ab initio pseudopotentials and self-consistent generalized gradient corrections. An almost perfect icosahedron is found to be the clear ground state of Ag 55 - , and its electronic density of states agrees almost perfectly with recently measured high-resolution photoelectron spectra, up to the magnitude of the splitting of the highest free-electron shells by the Ih crystal field. A comparison between theory and a recent experiment allows one to assign icosahedral-based structures also for the Ag 57 - cluster. On the other hand, the Au 55 - cluster has several close-lying low…
An optimization approach for efficient management of EV parking lots with batteries recharging facilities
2013
In this paper an optimization approach to devise efficient management strategies for Electric Vehicles parking lots is proposed. A Monte Carlo approach is used to evaluate the load consumption profile for groups of Electric Vehicles showing different features. The Monte Carlo approach allows to combine the different social and economical features affecting the commercial penetration of Electric Vehicles with the technical aspects. The basic feature to be assessed is the initial State Of Charge, which in turn depends on the distance travelled by the vehicle since the last recharge and thus by the usage of the vehicle (private, professional). The model is then used to optimize some objective …