Abstract

The concepts of electronic stress tensor density and energy density give new viewpoints for conventional ideas in chemistry. In this paper, we introduce the electronic stress tensor and energy density and other related quantities such as tension density and kinetic energy density, which are based on quantum field theory, and show their connection to the concepts in chemistry. The topics are: (i) zero surface of the electronic kinetic energy density and size of atoms, (ii) separatrix of the tension field as a boundary surface of atoms in a molecule, (iii) interpretation of energy density based bond order as directional derivative of a total energy of a molecule regarding the bond direction, and (iv) eigenvalues of the stress tensor as tools to classify types of chemical bond.

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