Calculation of pressure broadening parameters for the CO–He system at low temperatures

Abstract

Theoretical pressure broadening parameters were computed for the 0–1 and 1–2 rotational transitions of CO in He at very low temperatures and compared with the recent experimental measurements at 4.2 K. The interaction potential was taken from extensive SCF‐CI calculations, molecular collisiondynamics were described by essentially exact converged close coupling calculations, and pressure broadening cross sections were obtained from the collisional S matrices within the accurate Fano–Ben Reuven framework. Resonances at low collision energies give rise to an increase in the thermally averaged cross sections at low temperatures. Although previous calculations for this system at higher temperatures (77–300 K) were in good accord with experiment, at 4.2 K predicted values are about two times larger than experiment; possible sources of this discrepancy are discussed.