Experimental electron density of [Cu(2,2′-bipyridine)NO3]NO3

Experimental charge density from electron microscopic maps.

The charge density (CD) distribution of an atom is the difference per unit volume between the positive charge of its nucleus and the distribution of the negative charges carried by the electrons that are associated with it. The CDs of the atoms in macromolecules are responsible for their electrostatic potential (ESP) distributions, which can now be visualized using cryo-electron microscopy at h...

Pauli potential and Pauli charge from experimental electron density

In this work, based on the experimental electron density, we present the approximate spatial distributions of the Pauli potential, one of the key quantities in the orbital-free density functional, for three crystalline systems: diamond, cubic boron nitride, and magnesium diboride. Our aim is to reveal a link between the Pauli potential and the orbital-free picture of chemical bond. We also expa...

First-Principles Investigation of Density of States and Electron Density in Wurtzite In0.5Ga0.5 N Alloys with GGA-PBEsol Method

In present work, we have calculated the electronic properties including density of states and electron density for GaN, InN and InxGa1-xN  in wurtzite phase for x=0.5. The study is based on density functional theory with full potential linearized augmented plane wave method by generalized gradient approximation for calculating electronic properties. In this report we concluded that InxGa1-xN ba...

Numerical Study of Non - Equilibrium Air Dissociation For Calculation of Electron Density in Hypersonic Flow

Tomographic Reconstruction of the Ionospheric Electron Density in term of Wavelets

Ionospheric tomography is a method to investigate the ionospheric electron density in two or three dimensions. In this study, the function-based tomographic technique has been used for regional reconstruction of a 3D tomographic model of the ionospheric electron density using the GPS measurements of the Iranian Permanent GPS Network. Two-dimensional Haar wavelets and empirical orthogonal functi...