Search results for "Linea"

Adaptive discontinuous evolution Galerkin method for dry atmospheric flow

2014

We present a new adaptive genuinely multidimensional method within the framework of the discontinuous Galerkin method. The discontinuous evolution Galerkin (DEG) method couples a discontinuous Galerkin formulation with approximate evolution operators. The latter are constructed using the bicharacteristics of multidimensional hyperbolic systems, such that all of the infinitely many directions of wave propagation are considered explicitly. In order to take into account multiscale phenomena that typically appear in atmospheric flows nonlinear fluxes are split into a linear part governing the acoustic and gravitational waves and a nonlinear part that models advection. Time integration is realiz…

Reference set of Mycobacterium tuberculosis clinical strains: A tool for research and product development

2018

TheMycobacterium tuberculosiscomplex (MTBC) causes tuberculosis (TB) in humans and various other mammals. The human-adapted members of the MTBC comprise seven phylogenetic lineages that differ in their geographical distribution. There is growing evidence that this phylogenetic diversity modulates the outcome of TB infection and disease. For decades, TB research and development has focused on the two canonical MTBC reference strains H37Rv and Erdman, both of which belong to Lineage 4. Relying on only a few laboratory-adapted strains can be misleading as study results might not be directly transferrable to clinical settings where patients are infected with a diverse array of strains, includin…

Constrained consistency enforcement in AHP

2020

Abstract Decision-making in the presence of intangible elements must be based on a robust, but subtle, balance between expert know-how and judgment consistency when eliciting that know-how. This balance is frequently achieved as a trade-off reached after a feedback process softens the tension frequently found between one force steadily pulling towards (full) consistency, and another force driven by expert feeling and opinion. The linearization method, developed by the authors in the framework of the analytic hierarchy process, is a pull-towards-consistency mechanism that shows the path from an inconsistent body of judgment elicited from an expert towards consistency, by suggesting optimal c…

MR3098564 Reviewed Al-Thagafi, M. A.; Shahzad, Naseer Krasnosel'skii-type fixed-point results. J. Nonlinear Convex Anal. 14 (2013), no. 3, 483–491. (…

2014

The Krasnosel'skii fixed-point theorem is a powerful tool in dealing with various types of integro-differential equations. The initial motivation of this theorem is the fact that the inversion of a perturbed differential operator may yield the sum of a continuous compact mapping and a contraction mapping. Following and improving this idea, many fixed-point results were proved.\\ The authors present significant and interesting contributions in this direction. In particular, they give the following main theorem: \begin{theorem} Let $M$ be a nonempty bounded closed convex subset of a Banach space $E$, $S:M \to E$ and $T:M \to E$. Suppose that \begin{itemize} \item[(a)] $S$ is 1-set-contractive…

Absolutely summing operators on C[0,1] as a tree space and the bounded approximation property

AbstractLet X be a Banach space. For describing the space P(C[0,1],X) of absolutely summing operators from C[0,1] to X in terms of the space X itself, we construct a tree space ℓ1tree(X) on X. It consists of special trees in X which we call two-trunk trees. We prove that P(C[0,1],X) is isometrically isomorphic to ℓ1tree(X). As an application, we characterize the bounded approximation property (BAP) and the weak BAP in terms of X∗-valued sequence spaces.

Structural and electronic properties of β-NaYF4 and β-NaYF4:Ce3+

2020

AP is indebted for a financial support provided by Scientific Research Project grant for Students and Young Researchers Nr. SJZ/2017/3 sponsored at the Institute of Solid State Physics, University of Latvia , while AIP is thankful for the financial support from Latvian Research Council lzp-2018/1-0214 .

Comparative analysis of the electronic structures of mono- and bi-atomic chains of IV, III–V and II–VI group elements calculated using the DFT LCAO a…

2015

Using the first principle non-relativistic linear combination of atomic orbitals (LCAO) and relativistic linearized augmented cylindrical wave (LACW) methods, the band structure of the covalent and partially ionic ANB8−N single atom width chain is calculated. Both the LCAO and LACW methods show that the chains of C, Si, Ge, Sn, and Pb are metallic. However, there is a great difference between the relativistic and non-relativistic band structures. The π bands crossing the Fermi level are orbitally doubly degenerate in the non-relativistic model. The relativistic LACW calculations demonstrate that the spin and orbital motion of electrons are coupled, thereby splitting the π bands. The spin–or…

Ab Initio Study of BiFeO3: Thermodynamic Stability Conditions

2015

BiFeO3 is investigated intensively, mainly as a multiferroic material. In this paper, the state-of-the-art ab initio hybrid functional approach with atomic basis sets was employed for a study of the stability range of BiFeO3 with respect to its decomposition into binary oxides and elementary metals, as a function of temperature and oxygen partial pressure. The calculated atomic and electronic structure of BiFeO3 was compared with previous LDA+U calculations using plane-wave basis sets. Based on performed calculations, the phase diagram was constructed, which allows us to predict the stability region of stoichiometric BiFeO3.

The accuracy of molecular dipole moments in standard electronic structure calculations

2000

Abstract A systematic investigation has been carried out of the accuracy of calculated molecular equilibrium dipole moments of 11 polar closed-shell molecules, using the HF, MP2, CCSD and CCSD(T) models and correlation-consistent basis sets. Augmented basis sets are important for improving the basis-set convergence, but the quality of the results depends more on the correlation treatment than on the cardinal number of the basis set. Augmented triple-zeta basis sets are sufficient for most calculations. The mean absolute error of the HF calculations is 0.16 D, which is reduced at the MP2 and CCSD levels to 0.048 and 0.025 D, respectively. The CCSD(T) errors are small – typically

From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations

2011

It is shown that a linear correlation exists between nuclear shielding constants for nine small inorganic and organic molecules (N2, CO, CO2, NH3, CH4, C2H2, C2H4, C2H6 and C6H6) calculated with 47 methods (42 DFT methods, RHF, MP2, SOPPA, SOPPA(CCSD), CCSD(T)) and the aug-cc-pVTZ-J basis set and corresponding complete basis set results, estimated from calculations with the family of polarization-consistent pcS-n basis sets. This implies that the remaining basis set error of the aug-cc-pVTZ-J basis set is very similar in DFT and CCSD(T) calculations. As the aug-cc-pVTZ-J basis set is significantly smaller, CCSD(T)/aug-cc-pVTZ-J calculations allow in combination with affordable DFT/pcS-n com…