Search results for "Wave"
showing 10 items of 6009 documents
Multi-level coupled cluster theory
2014
We present a general formalism where different levels of coupled cluster theory can be applied to different parts of the molecular system. The system is partitioned into subsystems by Cholesky decomposition of the one-electron Hartree-Fock density matrix. In this way the system can be divided across chemical bonds without discontinuities arising. The coupled cluster wave function is defined in terms of cluster operators for each part and these are determined from a set of coupled equations. The total wave function fulfills the Pauli-principle across all borders and levels of electron correlation. We develop the associated response theory for this multi-level coupled cluster theory and prese…
Tau-spin correlations at the z-peak: aplanarities of the decay products
1991
8 páginas, 3 figuras, 1 tabla.-- CERN-TH-5932-90 ; FTUV-90-26.
Time-dependent Landauer-Büttiker formula: Application to transient dynamics in graphene nanoribbons
2014
In this work we develop a time-dependent extension of the Landauer-B\"uttiker approach to study transient dynamics in time-dependent quantum transport through molecular junctions. A key feature of the approach is that it provides a closed integral expression for the time-dependence of the density matrix of the molecular junction after switch-on of a bias or gate potential which can be evaluated without the necessity of propagating individual single-particle orbitals. This allows for the study of time-dependent transport in large molecular systems coupled to wide band leads. As an application of the formalism we study the transient dynamics of zigzag and armchair graphene nanoribbons of diff…
Gravity modelling of the lower crust in Sardinia (Italy)
1997
In this paper an example is given of an application of statistical techniques to the Bouguer anomalies analysis in order to design a simple crustal model using few a priori assumptions. All gravity measurements carried out in Sardinia have been collected and processed. The Bouguer anomalies have been calculated according to local density estimates. Spectral analysis of the Bouguer anomalies has been carried out along selected profiles in order to estimate the mean depth of the Moho discontinuity and that of an infracrustal discontinuity. The use of this technique inferred the presence of a discontinuity at a mean depth of ~ 28 km, interpreted as Moho and the likely presence of an infracrust…
Femtosecond coherent anti-Stokes Raman-scattering polarization beat spectroscopy of I2–Xe complex in solid krypton
2006
Time-resolved coherent anti-Stokes Raman-scattering (CARS) measurements are carried out to study the interaction between xenon atom and iodine molecule in a solid krypton matrix. Interference between the CARS polarizations of the "free" and complexed iodine molecules is observed, while the quantum beats of the complex are not detected due to low concentration. Vibrational analysis based on the polarization beats yields accurate molecular constants for the I2-Xe complex. The harmonic frequency of the I2-Xe complex is found to be redshifted by 0.90 cm-1 when compared to the free I2, whereas the anharmonicity is approximately the same. The dephasing rate of the complex is found to be somewhat …
Square wave voltammetric determination of the redox state of a reversibly oxidized/reduced depolarizer in solution and in solid state
2012
Abstract Square wave voltammetric measurements allows for determining the composition of system containing a reversibly reducible/oxidable electroactive species in two oxidation states. The method is based on recording the ratio of reverse to forward peak currents. That ratio can be correlated with the molar fraction of the oxidized (or reduced) form of the depolarizer. The method was compared with cyclic voltammetric methods suggested in literature and it was tested using Fe ( CN ) 6 3 - / Fe ( CN ) 6 4 - in solution phase. Application to solid state systems is illustrated by the dehydroindigo/indigo couple in synthetic Maya Blue-type specimens prepared from indigo plus different clays whe…
ChemInform Abstract: Microwave-Assisted Synthesis of Polysubstituted 4-Quinolones from Deprotonated α-Aminonitriles.
2011
The α-alkylations of deprotonated Strecker products such as (I) or (V) give a series of intermediates such as (III), (VI), or (X), which undergo microwave-assisted HCN and EtOH eliminations leading to the title quinolones (IV), (VII)/(VIII), or (XI).
Desalination by sea wave in small islands: The case of study of Lampedusa (Italy)
2018
The paper analyses the theme of water energy nexus, investigating a specific industrial process: desalination. In particular, the paper reports a case of study, applied in the small island of Lampedusa, located at south of Sicily (Italy). As the many small islands in the middle of the Mediterranean Sea, Lampedusa presents a small electrical grid, not connected to the mainland. The electrical production is entrusted to old diesel engines, consuming fossil fuel, transported by boat from Sicily. Besides, the renewable energy sources are extremely underdeveloped in this territory, since the environmental constraints make complex the use of technologies, like wind turbines or photovoltaic panels…
GW170817: Implications for the Stochastic Gravitational-Wave Background from Compact Binary Coalescences
2018
The LIGO Scientific and Virgo Collaborations have announced the first detection of gravitational waves from the coalescence of two neutron stars. The merger rate of binary neutron stars estimated from this event suggests that distant, unresolvable binary neutron stars create a significant astrophysical stochastic gravitational-wave background. The binary neutron star background will add to the background from binary black holes, increasing the amplitude of the total astrophysical background relative to previous expectations. In the Advanced LIGO-Virgo frequency band most sensitive to stochastic backgrounds (near 25 Hz), we predict a total astrophysical background with amplitude $\Omega_{\rm…
Copper, iron and zinc determinations in human milk using FAAS with microwave digestion
2000
Abstract A method for determining copper, iron and zinc in human milk was optimized and validated. It includes microwave mineralization of the sample and measuring the elements by flame atomic absorption spectroscopy (FAAS). Only 2 ml of milk is needed, and the method is free of matrix interferences. The values obtained for the detection limits (0.07; 0.07; 0.11 μg/ml milk, for copper, iron and zinc) precision of the method, intra-assay (2.9; 5.2; 6.1%RSD for copper, iron and zinc) and accuracy, evaluated using recovery assays (98.8; 100.4; 95.9% for copper, iron and zinc) show that the method is useful for the purpose mentioned. Moreover, the method is rapid and simple, and the determinati…