Search results for "Calculation"
showing 10 items of 594 documents
Silicon Oxysulfide, OSiS: Rotational Spectrum, Quantum-Chemical Calculations, and Equilibrium Structure.
2011
Silicon oxysulfide, OSiS, and seven of its minor isotopic species have been characterized for the first time in the gas phase at high spectral resolution by means of Fourier transform microwave spectroscopy. The equilibrium structure of OSiS has been determined from the experimental data using calculated vibration-rotation interaction constants. The structural parameters (rO-Si = 1.5064 A and rSi-S = 1.9133 A) are in very good agreement with values from high-level quantum chemical calculations using coupled-cluster techniques together with sophisticated additivity and extrapolation schemes. The bond distances in OSiS are very short in comparison with those in SiO and SiS. This unexpected fi…
Update on the b→s anomalies
2019
We present a brief update of our model-independent analyses of the b->s data presented in the articles published in Phys. Rev. D96 (2017) 095034 and Phys. Rev. D98 (2018) 095027 based on new data on R_K by LHCb, on R_{K^*} by Belle, and on B_{s,d}-> mu^+ mu^- by ATLAS.
Method specific Cholesky decomposition : Coulomb and exchange energies
2008
We present a novel approach to the calculation of the Coulomb and exchange contributions to the total electronic energy in self consistent field and density functional theory. The numerical procedure is based on the Cholesky decomposition and involves decomposition of specific Hadamard product matrices that enter the energy expression. In this way, we determine an auxiliary basis and obtain a dramatic reduction in size as compared to the resolution of identity (RI) method. Although the auxiliary basis is determined from the energy expression, we have complete control of the errors in the gradient or Fock matrix. Another important advantage of this method specific Cholesky decomposition is t…
The rotational spectrum of 17O2 up to the THz region
2016
Abstract The investigation of the pure rotational spectrum of the 17O2 isotopic species of molecular oxygen has been extended with respect to previous investigations to the submillimeter-wave region, from 230 GHz up to 1.06 THz. The resulting spectroscopic parameters, which have an accuracy comparable to that of the constants obtained from an updated isotopic invariant fit involving data for three electronic states and six isotopologues [Yu et al. High resolution spectral analysis of oxygen. IV. Energy levels, partition sums, bandconstants, RKR potentials, Franck–Condon factors involving the X 3 Σ g − , a 1 Δ g , and b 1 Σ g + states. J Chem Phys 2014;141:174302/1–12], permit the prediction…
A generic high-dose rate192Ir brachytherapy source for evaluation of model-based dose calculations beyond the TG-43 formalism
2015
Purpose: In order to facilitate a smooth transition for brachytherapy dose calculations from the American Association of Physicists in Medicine (AAPM) Task Group No. 43 (TG-43) formalism to model-b ...
New density-independent interactions for nuclear structure calculations
2013
We present a new two-body finite-range and momentum-dependent but density-independent effective interaction, which can be interpreted as a regularized zero-range force. We show that no three-body or density-dependent terms are needed for a correct description of saturation properties in infinite matter, that is, on the level of low-energy density functional, the physical three-body effects can be efficiently absorbed in effective two-body terms. The new interaction gives a very satisfying equation of state of nuclear matter and opens up extremely interesting perspectives for the mean-field and beyond-mean-field descriptions of atomic nuclei.
Use of site symmetry in supercell models of defective crystals: Polarons in CeO2
2017
The authors thank R. Merkle and G. W. Watson for stimulating discussions. E. K. also acknowledges partial financial support from the Russian Science Foundation for the study of charged defects under the project 14-43-00052. A. C. also acknowledges financial support from the University of Latvia Foundation (Arnis Riekstins's "MikroTik" donation). E. K. and D. G. express their gratitude to the High Performance Computer Centre in Stuttgart (HLRS, project DEFTD 12939) for the provided computer facilities whereas R. A. E. thanks the St. Petersburg State University Computer Center for assistance in high-performance calculations.
Observation of inclined EeV air showers with the radio detector of the Pierre Auger Observatory
2018
With the Auger Engineering Radio Array (AERA) of the Pierre Auger Observatory, we have observed the radio emission from 561 extensive air showers with zenith angles between 60 and 84. In contrast to air showers with more vertical incidence, these inclined air showers illuminate large ground areas of several km2 with radio signals detectable in the 30 to 80 MHz band. A comparison of the measured radio-signal amplitudes with Monte Carlo simulations of a subset of 50 events for which we reconstruct the energy using the Auger surface detector shows agreement within the uncertainties of the current analysis. As expected for forward-beamed radio emission undergoing no significant absorption or sc…
A neural network clustering algorithm for the ATLAS silicon pixel detector
2014
A novel technique to identify and split clusters created by multiple charged particles in the ATLAS pixel detector using a set of artificial neural networks is presented. Such merged clusters are a common feature of tracks originating from highly energetic objects, such as jets. Neural networks are trained using Monte Carlo samples produced with a detailed detector simulation. This technique replaces the former clustering approach based on a connected component analysis and charge interpolation. The performance of the neural network splitting technique is quantified using data from proton-proton collisions at the LHC collected by the ATLAS detector in 2011 and from Monte Carlo simulations. …
Long-lived particles at the energy frontier: the MATHUSLA physics case
2019
We examine the theoretical motivations for long-lived particle (LLP) signals at the LHC in a comprehensive survey of Standard Model (SM) extensions. LLPs are a common prediction of a wide range of theories that address unsolved fundamental mysteries such as naturalness, dark matter, baryogenesis and neutrino masses, and represent a natural and generic possibility for physics beyond the SM (BSM). In most cases the LLP lifetime can be treated as a free parameter from the $\mu$m scale up to the Big Bang Nucleosynthesis limit of $\sim 10^7$m. Neutral LLPs with lifetimes above $\sim$ 100m are particularly difficult to probe, as the sensitivity of the LHC main detectors is limited by challenging …