Search results for "calculations"
showing 10 items of 468 documents
Stereoselective Access to Fluorinated and Non-fluorinated Quaternary Piperidines: Synthesis of Pipecolic Acid and Iminosugar Derivatives
2012
The preparation of optically pure quaternary piperidines, both fluorinated and non-fluorinated, has been achieved from a chiral imino lactone derived from (R)-phenylglycinol. In the case of the fluorinated derivatives, the addition of (trifluoromethyl)trimethylsilane (TMSCF(3)) followed by iodoamination and migration of the CF(3) group allowed access to four derivatives of α-(trifluoromethyl)pipecolic acid. A theoretical study of the CF(3)-group rearrangement has been carried out to help establish the reaction mechanism of this uncommon transformation. Moreover, a route to trifluoromethyl-substituted iminosugars was also developed through the diastereoselective dihydroxylation of suitable s…
Elementary presentation of self‐consistent intermediate Hamiltonians and proposal of two totally dressed singles and doubles configuration interactio…
1994
Intermediate Hamiltonians are effective Hamiltonians which are defined on an N‐dimensional model space but which only provide n<N exact eigenvalues and the projections of the corresponding eigenvectors onto the model space. For a single root research, the intermediate Hamiltonian may be obtained from the restriction of the Hamiltonian to the model space by an appropriate, uniquely defined dressing of the diagonal energies or of the first column. Approximate self‐consistent dressings may be proposed. The simplest perturbative form gives the same result as the original 2nd order intermediate Hamiltonian or the ‘‘shifted Bk’’ technique but it is of easier implementation. Self‐consistent inclus…
Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids
2018
The critical points analysis of electron density,i.e. ρ(x), fromab initiocalculations is used in combination with the catastrophe theory to show a correlation between ρ(x) topology and the appearance of instability that may lead to transformations of crystal structures, as a function of pressure/temperature. In particular, this study focuses on the evolution of coalescing non-degenerate critical points,i.e. such that ∇ρ(xc) = 0 and λ1, λ2, λ3≠ 0 [λ being the eigenvalues of the Hessian of ρ(x) atxc], towards degenerate critical points,i.e. ∇ρ(xc) = 0 and at least one λ equal to zero. The catastrophe theory formalism provides a mathematical tool to model ρ(x) in the neighbourhood ofxcand allo…
Inclusive D-Meson Production at the LHC
2012
I present predictions for the inclusive production of $D$ mesons at the CERN LHC in the general-mass variable-flavor-number scheme at next-to-leading order. Numerical results are compared to data where available, and uncertainties to scale variations, parton distribution functions and charm mass are discussed. I point out that measurements at large rapidity have the potential to pin down models of intrinsic charm.
Scalar, axial-vector, and tensor resonances from the rho D-*, omega D-* interaction in the hidden gauge formalism
2009
13 pages, 15 figures.-- PACS nrs.: 13.75.Lb, 12.40.Vv, 12.40.Yx, 14.40.Cs.-- ArXiv pre-print available at: http://arxiv.org/abs/0903.3823
Consistent QFT description of non-standard neutrino interactions
2019
Neutrino oscillations are precision probes of new physics beyond the Standard Model. Apart from neutrino masses and mixings, they are also sensitive to possible deviations of low-energy interactions between quarks and leptons from the Standard Model predictions. In this paper we develop a systematic description of such non-standard interactions (NSI) in oscillation experiments within the quantum field theory framework. We calculate the event rate and oscillation probability in the presence of general NSI, starting from the effective field theory (EFT) in which new physics modifies the flavor or Lorentz structure of charged-current interactions between leptons and quarks. We also provide the…
Pseudospectrum and Black Hole Quasinormal Mode Instability
2020
We study the stability of quasinormal modes (QNM) in asymptotically flat black hole spacetimes by means of a pseudospectrum analysis. The construction of the Schwarzschild QNM pseudospectrum reveals the following: (i) the stability of the slowest-decaying QNM under perturbations respecting the asymptotic structure, reassessing the instability of the fundamental QNM discussed by Nollert [H. P. Nollert, About the Significance of Quasinormal Modes of Black Holes, Phys. Rev. D 53, 4397 (1996)] as an "infrared" effect; (ii) the instability of all overtones under small-scale ("ultraviolet") perturbations of sufficiently high frequency, which migrate towards universal QNM branches along pseudospec…
Multi-boson block factorization of fermions
2017
The numerical computations of many quantities of theoretical and phenomenological interest are plagued by statistical errors which increase exponentially with the distance of the sources in the relevant correlators. Notable examples are baryon masses and matrix elements, the hadronic vacuum polarization and the light-by-light scattering contributions to the muon g-2, and the form factors of semileptonic B decays. Reliable and precise determinations of these quantities are very difficult if not impractical with state-of-the-art standard Monte Carlo integration schemes. I will review a recent proposal for factorizing the fermion determinant in lattice QCD that leads to a local action in the g…
Synthesis and High-Pressure Study of Corundum-Type In2O3
2015
This work reports the high-pressure and high-temperature (HP-HT) synthesis of pure rhombohedral (corundum-type) phase of indium oxide (In2O3) from its most stable polymorph, cubic bixbyite-type In2O3, using a multianvil press. Structural and vibrational properties of corundum-type In2O3 (rh-In2O3) have been characterized by means of angle-dispersive powder X-ray diffraction and Raman scattering measurements at high pressures which have been compared to structural and lattice dynamics ab initio calculations. The equation of state and the pressure dependence of the Raman-active modes of the corundum-type phase are reported and compared to those of corundum (α-Al2O3). It can be concluded that …
Understanding the detector behavior through Montecarlo and calibration studies in view of the SOX measurement
2015
International audience; Borexino is an unsegmented neutrino detector operating at LNGS in central Italy. The experiment has shown its performances through its unprecedented accomplishments in the solar and geoneutrino detection. These performances make it an ideal tool to accomplish a state- of-the-art experiment able to test the existence of sterile neutrinos (SOX experiment). For both the solar and the SOX analysis, a good understanding of the detector response is fundamental. Consequently, calibration campaigns with radioactive sources have been performed over the years. The calibration data are of extreme importance to develop an accurate Monte Carlo code. This code is used in all the n…