Up and away in the potential landscape of diatomic molecule potential energy curves

Abstract

The understanding of the potential curves of a given molecule has expanded in many ways during my last 52 years as an experimental and theoretical molecular chemist/physicist in graduate school in Chemistry at Harvard and in both the

A comparative review of 50 analytical representation of potential energy interaction for diatomic systems: 100 years of history

“…Recent work (see, e.g., Stwalley [12]) show the oldie idea of representing potential energy as a function of internuclear distance, is still extremely valuable. Interested especially in long‐range intramolecular interactions, Stawalley describes the behavior of certain potential regions for diatomic systems H 2 , LiH, Li 2 , Na 2 , K 2 , KRb, Rb 2 , Cs 2 , HgH and Mg 2 [12].…”

“…Recent work (see, e.g., Stwalley [12]) show the oldie idea of representing potential energy as a function of internuclear distance, is still extremely valuable. Interested especially in long‐range intramolecular interactions, Stawalley describes the behavior of certain potential regions for diatomic systems H 2 , LiH, Li 2 , Na 2 , K 2 , KRb, Rb 2 , Cs 2 , HgH and Mg 2 [12]. He analyzed the following potential regions: short range chemically bound levels, long range weakly bound levels, long range purely repulsive continuum levels, Rydberg (RYD) levels based on short range chemically bound ions, RYD levels based on long‐range weakly bound ions, long range “heavy” RYD levels based on atomic ion pairs and long range RYD levels based on an Atom @ Rydberg Atom [12], showing the relevance of still studying PES of diatomic systems.…”