Closed boundaries, many-electron atom

Thomas-Fermi-Dirac-Weizsacker Density Functional Formalism Applied to the Study of Many-electron Atom Confinement by Open and Closed Boundaries... 

Many-electron Atom Confinement by Closed Boundaries 257... 

In this contribution, the adequacy of the TFDA.W method for the study of many-electron atom confinement within different confinement conditions -by closed and open boundaries - is explored. We begin by making a brief review of the main strategy followed in the TFDA.W method to account for the study of many-electron atoms confined by hard and soft spherical boxes. Here, important quantitative corrections to our previous studies are introduced, leading to better agreement with other reference calculations,... 

MANY-ELECTRON ATOM CONFINEMENT BY CLOSED BOUNDARIES... 

Apparently, with the closeness of electron densities in free atoms-components, the transition processes between boundary atoms of particles will be minimum, thus favoring the formation of new structure. So, the evaluation of the degree of structural interactions in many cases comes to the comparative evaluation of electron density of valence electrons in free atoms (on averaged orbitals) participating in the process. 

CONTEXT Formal charges in molecules, NMR chemical shifts, and chemical bond orders are all determined by the probability density of the electron in specific regions of space. Even in individual atoms, we can use the probability density close to the nucleus to distinguish one element from among many others in a rich mixture of compounds, such as soil. The interaction between the nucleus and the electron density near the nucleus is one probe that has been used to find evidence of prehistoric comet impacts on Earth and their possible role in mass extinctions. The Cretaceous-Tertiary (K-T) boundary is a visible layer in the earth s crust that divides the fossil record into the times before and after the dinosaurs. Roughly 65 million years ago, the K-T boundary was formed, and after that, no more dinosaurs. Physicist Luis Alvarez in 1980... 

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