Application of the effective vibration-rotation hamiltonian to H₂and D₂

Abstract

Abstract The effective vibration-rotation hamiltonian developed by Bunker and Moss in the preceding paper is applied to H2 and D2. We have fitted this hamiltonian to the experimental vibration-rotation energy levels of the ground electronic state of D2 by adjusting the parameters μv and μr. In doing this we found that we could achieve a satisfactory fit (standard deviation < 0·1 cm-1) by adjusting only the one parameter μv and fixing μr as equal to the nuclear reduced mass μ. Using the isotopic dependence of μv given by Bunker and Moss we have used μv (D2) to calculate μr (H2) and have used that value of μv, with μr = μ, to predict the vibration-rotation energy levels of H2 in its ground electronic state. More consistent experimental values for these energies than presently available are being determined in experiments under way in this laboratory, and they will test these predictions. Additional informationNotes on contributorsC.J. McLarnon NRCC summer student 1976.