The Moment Analysis Method as Applied to the (2)S yields (2)P Transition in Cryogenic Alkali Metal/Rare Gas Matrices
AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE
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The moment analysis method MA has been tested for the case of 2S yields 2P transitions of alkali metal atoms M doped into cryogenic rare gas Rg matrices using theoretically validated simulations. Theoreticalcomputational MRg system models are constructed with precisely defined parameters that closely mimic known MRg systems. Monte Carlo MC techniques are then employed to generate simulated absorption and magnetic circular dichroism MCD spectra of the 2S yields 2P MRg transition to which the MA method can be applied with the goal of seeing how effective the MA method is in re-extracting the MRg system parameters from these known simulated systems. The MA method is summarized in general, and an assessment is made of the use of MA method in the rigid shift approximation typically used to evaluate MRg systems. The MC-MCD simulation technique is summarized and validating evidence is presented. The simulation results and the assumptions used in applying MA to MRg systems are evaluated. The simulation results on NaAr demonstrate that the MA method does successfully re-extract the 2P spin-orbit coupling constant and Lande g-factor values initially used to build the simulations. However, assigning physical significance to the cubic and non-cubic Jahn-Teller JT vibrational mode parameters in cryogenic MRg systems is not supported.
- Physical Chemistry
- Numerical Mathematics
- Statistics and Probability