Sentence examples for core approximation from inspiring English sources
The atomic charges for Gd@C82(OH)22 was obtained by the DFT level quantum mechanics calculation with the frozen core approximation on the heavy atoms as described in our recent study with MMP-919.
Decomposition of moist wood is modeled using the shrinking unreacted-core approximation for a finite rate of reaction and the assumption of a thermally controlled evaporation of moisture across an infinitely thin front at constant temperature.
In all calculations, the projector augmented wave method (PAW) [37] with the frozen-core approximation was used for the ion electron interactions.
24 The frozen-core approximation was applied throughout.
The journal emphasizes three core areas: approximation theory and computational geometry; numerical analysis, modelling and simulation; imaging, signal processing and data analysis.
Two methods of treating the optics of BC in size-resolved cloud liquid, ice and graupel are compared: the core-shell approximation (CSA) and the iterative dynamic effective medium approximation (DEMA).
It should be pointed out that purely toroidal core flow approximations were used in previous studies (e.g., Bloxham et al. 2002; Olsen and Mandea 2008).
Structural properties of energetically low-lying isomers of the isolated Al4O4 molecular system have been investigated by theoretical ab initio techniques within the Hartree Fock (HF) and second-order Møller Plesset (MP2) frozen core level of approximation and density functional methods (DFT) employing the Becke-3 Perdew-86 (Becke-3 Perdew-86ctional.
In the frozen-flux approximation, core surface motions u are related to changes in the radial geomagnetic main field B r through the diffusive-less induction equation at the core-mantle boundary (e.g., Holme 2007): frac{partial B_{r}}{partial t} = - nabla_{H} cdot left(mathbf{u} B_{r} right),.
This is the core of the approximation and the reduction and results from the rapid equilibrium assumptions that are discussed in the mathematical background.
To a good first approximation the core of the LRF can be modeled as a Gaussian, parameterized by a Resolution, ∆E or ∆λ, given as the full-width at half-maximum of the Gaussian, 2.35σ.
