Rapid Approximate Calculation of Numbers of Quantum States <i>W</i>(<i>E,J</i>) in the Phase Space Theory of Unimolecular Bond Fission Reactions

Abstract

Abstract A facile and rapid approximation for counting numbers of quantum states W ( E,J ) is described for application in the phase space theory of unimolecular bond fission reactions. The method accounts for J ‐conservation. It is based on an empirical interpolation between analytical expressions of W ( E,J ) in the low J ‐ and high J ‐limits, and it is checked by extensive accurate state counting for sets of representative model molecules.