The ground-state density p(r) at equilibrium internuclear distances is utilized to calculate the inhomogeneity kinetic energy T2 = (h2/72 m) j (Vp)2/p dr for a number of diatomics. The scaling properties of T2 are exhibited, together with some brief comments on the relation of T2 to molecular dissociation.
ASJC Scopus subject areas
- Molecular Biology
- Condensed Matter Physics
- Physical and Theoretical Chemistry