## Quantum Stress Focusing in Descriptive Chemistry

##### Authors
Tao, Jianmin
Vignale, Giovanni
Tokatly, I. V.
##### Description
We show that several important concepts of descriptive chemistry, such as atomic shells, bonding electron pairs and lone electron pairs, may be described in terms of {\it quantum stress focusing}, i.e. the spontaneous formation of high-pressure regions in an electron gas. This description subsumes previous mathematical constructions, such as the Laplacian of the density and the electron localization function, and provides a new tool for visualizing chemical structure. We also show that the full stress tensor, defined as the derivative of the energy with respect to a local deformation, can be easily calculated from density functional theory.
Comment: 5 pages, 2 figures
##### Keywords
Condensed Matter - Materials Science