Search results for "quantum [effect]"
showing 10 items of 5105 documents
Systematic conformational search analysis of the SRR and RRR epimers of 7-hydroxymatairesinol
2010
An extensive and systematic conformational search was performed on the two epimers of the natural lignan 7-hydroxymatairesinol (HMR), by means of a home-made Systematic Conformational Search Analysis (SCSA) code, designed to select more and more stable conformers through sequential geometry optimization of trial structures at increasing levels of calculation theory. In the present case, the starting molecular structures were selected by the semi-empirical AM1 method and filtered – i.e. decreased in number by choosing the more stable species – on the basis of their energy calculated by the HF method and the 6-31G(d) basis set. The geometries obtained were further refined by performing densit…
Force Distribution Analysis of Mechanochemically Reactive Dimethylcyclobutene
2013
Internal molecular forces can guide chemical reactions, yet are not straightforwardly accessible within a quantum mechanical description of the reacting molecules. Here, we present a force-matching force distribution analysis (FM-FDA) to analyze internal forces in molecules. We simulated the ring opening of trans-3,4-dimethylcyclobutene (tDCB) with on-the-fly semiempirical molecular dynamics. The self-consistent density functional tight binding (SCC-DFTB) method accurately described the force-dependent ring-opening kinetics of tDCB, showing quantitative agreement with both experimental and computational data at higher levels. Mechanical force was applied in two different ways, namely, exter…
One-pot synthesis and characterization of subnanometre-size benzotriazolate protected copper clusters
2012
A simple one-pot method for the preparation of subnanometre-size benzotriazolate (BTA) protected copper clusters, Cu(n)BTA(m), is reported. The clusters were analyzed by optical and infrared spectroscopy, mass spectrometry and transmission electron microscopy together with computational methods. We suggest a structural motif where the copper core of the Cu(n)BTA(m) clusters is protected by BTA-Cu(i)-BTA units.
Branching Ratios and Spectral Functions of $\tau$ Decays: final ALEPH measurements and physics implications
2005
The full LEP-1 data set collected with the ALEPH detector at the $Z$ pole during 1991-1995 is analysed in order to measure the $\tau$ decay branching fractions. Extensive systematic studies are performed, in order to match the large statistics of the data sample corresponding to over 300 000 measured and identified $\tau$ decays. Branching fractions are obtained for the two leptonic channels and eleven hadronic channels defined by their respective numbers of charged particles and $\pi^0$'s. Using previously published ALEPH results on final states with charged and neutral kaons, corrections are applied to the hadronic channels to derive branching ratios for exclusive final states without kao…
Indistinguishability of Elementary Systems as a Resource for Quantum Information Processing.
2017
Typical elements of quantum networks are made by identical systems, which are the basic particles constituting a resource for quantum information processing. Whether the indistinguishability due to particle identity is an exploitable quantum resource remains an open issue. Here we study independently prepared identical particles showing that, when they spatially overlap, an operational entanglement exists which can be made manifest by means of separated localized measurements. We prove this entanglement is physical in that it can be directly exploited to activate quantum information protocols, such as teleportation. These results establish that particle indistinguishability is a utilizable …
Quasiparticle properties of nonequilibrium gluon plasma
2018
We apply classical gluodynamics to early stages of ultrarelativistic heavy-ion collisions. We start by giving a brief overview of QCD. Then we proceed to the space-time evolution of ultrarelativistic heavy-ion collisions in the color glass condensate framework and go through the basics of real-time gluodynamics on the lattice in the temporal gauge. We study the plasmon mass scale in three- and two-dimensional systems by comparing three different methods to measure the mass scale. The methods are a formula which can be derived from Hard Thermal Loop effective theory at leading order (HTL), the effective dispersion relation (DR) and measurement of the plasma oscillation frequency triggered by th…
Applications and non-idealities of submicron Al–AlOx–Nb tunnel junctions
2016
We have developed a technique to fabricate sub-micron, 0.6µm×0.6µm Al-AlOx-Nb tunnel junctions using a standard e-beam resist, angle evaporation and double oxidation of the tunneling barrier, resulting in high quality niobium, as determined by the the high measured values of the critical temperature TC ∼ 7.5 K and the gap ∆ ∼ 1.3 meV. The devices show great promise for local nanoscale thermometry in the temperature range 1 - 7.5 K. Electrical characterization of the junctions was performed at sub-Kelvin temperatures both with and without an external magnetic field, which was used to suppress superconductivity in Al and thus bring the junction into a normal-metal-insulator-superconductor (NI…
Gold Au(I)6 Clusters with Ligand-Derived Atomic Steric Locking: Multifunctional Optoelectrical Properties and Quantum Coherence
2023
Funding Information: This work was supported by the ERC Advanced grant (DRIVEN, ERC‐2016‐AdG‐742829), the ERC grant (834742), the EU H2020‐MSCA‐RISE‐872049 (IPN‐Bio), the Academy of Finland's Centre of Excellence in Molecular Engineering of Biosynthetic Hybrid Materials Research (HYBER, 2014–2019), and Life‐Inspired Hybrid Materials (LIBER, 346108), Academy of Finland project fundings (No. 352900, 314810, 333982, 336144, 352780, 352930 and 353364), FinnCERES and Photonics Research and Innovation (PREIN) flagship programs. The authors acknowledge the provision of facilities and technical support by Aalto University OtaNano – Nanomicroscopy Center (Aalto‐NMC). | openaire: EC/H2020/834742/EU//…
QCD NLO with Powheg matching and top threshold matching in WHIZARD
2016
We present the status of the automation of NLO processes within the event generator WHIZARD. The program provides an automated FKS subtraction and phase space integration over the FKS regions, while the (QCD) NLO matrix element is accessed via the Binoth Les Houches Interface from an externally linked one-loop program. Massless and massive test cases and validation are shown for several e+e- processes. Furthermore, we discuss work in progress and future plans. The second part covers the matching of the NRQCD prediction with NLL threshold resummation to the NLO continuum top pair production at lepton colliders. Both the S-wave and P-wave production of the top pair are taken into account in t…
Vertex corrections for positive-definite spectral functions of simple metals
2016
We present a systematic study of vertex corrections in the homogeneous electron gas at metallic densities. The vertex diagrams are built using a recently proposed positive-definite diagrammatic expansion for the spectral function. The vertex function not only provides corrections to the well known plasmon and particle-hole scatterings, but also gives rise to new physical processes such as generation of two plasmon excitations or the decay of the one-particle state into a two-particles-one-hole state. By an efficient Monte Carlo momentum integration we are able to show that the additional scattering channels are responsible for the bandwidth reduction observed in photoemission experiments on…