ALGORITHMS FOR CALCULATING COHERENT ANTI-STOKES RAMAN-SPECTRA - APPLICATION TO SEVERAL SMALL MOLECULES

Use of coherent anti-Stokes Raman spectroscopy (CARS) as a diagnostic technique requires the comparison of experimental spectra with calculated spectra to determine temperature and species concentration. In order to extract experimental values by these comparisons, the molecular Raman resonance characteristics and the effect of the laser lineshapes must be accurately modelled. The resonant frequencies, line strengths and linewidths are calculated for pressure, temperature and species concentration. The molecular lines then are convoluted with the laser lineshapes. The package includes the six independent, interchangeable lineshape convolution routines, four interchangeable resonance characteristic routines and an example main program with instrument convolution routine.