Sentence examples for based on density function from inspiring English sources

The minimized structures based on density function theory (DFT) calculation show planar configurations for the compounds.

We carried out our calculations with a full-potential linearized augmented plane wave scheme based on density function theory.

The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory.

Surface morphology, surface energy, work function, band structure, density of state, and optical properties of the two nonpolar surfaces are calculated using first principle based on density function theory (DFT).

First-principles calculation based on density function theory reveals that the strong covalent bonds formed between Mn-3d and O-2p orbits and stable Li2MnO3-enriched layer are helpful for stabilizing the LiMn1/3Co1/3Ni1/3O2 structure.

In this study, we identify the conditions that favor trace metal adsorption on the edge surfaces of birnessite nanoparticles by using Ni as a probe ion for Ni K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy and geometry optimizations based on density function theory (DFT).

Figure 2 Membership function based on density.

To fully address this issue, in this work, two regional moment-independent importance measures, Regional Importance Measure based on Probability Density Function (RIMPDF) and Regional Importance Measure based on Cumulative Distribution Function (RIMCDF), are introduced to find out the contributions of specific regions of an input to the whole output distribution.

To our knowledge, only Pavy et al. [ 8] have previously implemented a statistical approach, based on kernel density function, in Picea spp., to overcome the need to use such fixed bandwidths in analyses of 'gene-rich regions' as an indicator of suppressed recombination.

In order to study the surface of Ga1−xAlxN photocathodes theoretically, atomic structure, band structure, density of state, surface energy, work function and optical properties of Ga0.75Al0.25N(0 0 0 1) surface are calculated using the plane-wave pseudo-potential method based on the density function theory.

The anisotropic Raman scattering and mobility cut-on rate of monolayer unique distorted-1T (1Td) ReS2 with external strain are determined theoretically based on the density function theory.