Py4CAtS—PYthon for Computational ATmospheric Spectroscopy

Radiation is a key process in the atmosphere. Numerous radiative transfer codes have been developed spanning a large range of wavelengths, complexities, speeds, and accuracies. In the infrared and microwave, line-by-line codes are crucial esp. for modeling and analyzing high-resolution spectroscopic observations. Here we present Py4CAtS—PYthon scripts for Computational ATmospheric Spectroscopy, a Python re-implemen-tation of the Fortran Generic Atmospheric Radiation Line-by-line Code GARLIC, where computationally-intensive code sections use the Numeric/Scientific Python modules for highly optimized array processing. The individual steps of an infrared or microwave radiative transfer computation are implemented in separate scripts (and corresponding functions) to extract lines of relevant molecules in the spectral range of interest, to compute line-by-line cross sections for given pressure(s) and temperature(s), to combine cross sections to absorption coefficients and optical depths, and to integrate along the line-of-sight to transmission and radiance/intensity. Py4CAtS can be used in three ways: in the (Unix/Windows/Mac) console/terminal, inside the (I)Python interpreter, or Jupyter notebook. The basic design of the package, numerical and computational aspects relevant for optimization, and a sketch of the typical workflow are presented. In conclusion, Py4CAtS provides a versatile environment for “interactive” (and batch) line-by-line radiative transfer modeling.

Spectroscopy Fundamentals

This chapter provides a broad overview of the spectroscopic principles required in order to perform quantitative spectroscopy of atmospheres. It couples the details of atmospheric spectroscopy with the radiative transfer processes and also with the assessment of rotational, vibrational, and electronic spectroscopic measurements of atmospheres. The principles apply from line-resolved measurements (chiefly microwave through infrared) through ultraviolet and visible measurements employing absorption cross sections developed from individual transitions. The chapter introduces Einstein coefficients before in turn discussing rotational spectroscopy, vibrational spectroscopy, nuclear spin, and electronic spectroscopy.