Espectroscopia de moléculas em contextos astrofísicos: papel das listas de linhas e das abordagens computacionais

Abstract

Molecules are present in a diversity of astrophysical environments, playing important roles in their physicochemical properties. Modern telescopes significantly increase the amount and quality of spectra from the atmospheres of exoplanets, cool stars, and brown dwarfs. However, these spectra are complex, so interpreting them requires the construction of spectroscopic line lists. Databases with different methodologies and applications provide molecular spectroscopic data. In this context, ab initio quantum chemistry methods, when refined with high-resolution experimental data, represent the state of the art in generating more precise line lists. Thus, this review covers the main steps in constructing these lists, highlighting their importance in modeling astronomical spectra of hot atmospheric environments and in the reliable identification of the molecules present. It also presents the collection of spectral lines from the TiO molecule as an example of application.