Collins conjecture and information entropy in dissociating diatomic molecules

Abstract

Collins conjecture is examined in the dissociating molecules of ${\mathrm{H}}_{2}$ and ${\mathrm{N}}_{2}$, the proportionality between the correlation energy and the entropy exists in the region close to the equilibrium bond length. Similar proportionality also exists between the kinetic energy and the entropy. On the other hand, the proportionality between the potential energy difference and the entropy expands over to a larger nuclear distance. The result suggests a method to estimate the energy from the entropy. The entropy from the eigenvalue spectrum of the 2-matrix is also discussed.