Chem. Phys. Lett. 768, 138385 (2021)

Vibrational angular momentum level densities of linear molecules

Klavs Hansen ^a,b,*, Piero Ferrari ^b

a Center for Joint Quantum Studies and Department of Physics, School of Science, Tianjin University, 92 Weijin Road, Tianjin 300072, China

b Quantum Solid-State Physics, Department of Physics and Astronomy, KU Leuven, 3001 Leuven, Belgium

Abstract

While linear molecules in their vibrational ground state cannot carry angular momentum around their symmetry axis, the presence of vibrational excitations can induce deformations away from linearity and therefore also allow angular momentum along the molecular axis. In this work, a recurrence relation is established for the calculation of the vibrational level densities (densities of states) of linear molecules, specifed with respect to both energy and angular momentum. The relation is applied to the carbon clusters of sizes (n = 4, 6, 7) as a case study.