Rotational spectroscopy meets theory

摘要: Rotational spectroscopy is known to be a technique that widely used infer information on molecular structure and dynamics. In the last few decades, its role in field of atmospheric astrophysical investigations has rapidly grown. However, several are challenging aspects rotational spectroscopy, since detection analysis spectra as well interpretation obtained results not at all straightforward. Quantum chemistry reached such an accuracy can disentangle these situations by guiding experimental investigation, assisting determination spectroscopic parameters, extracting chemical interest. This perspective provides overview theoretical background computational requirements needed for accurate evaluation parameters relevance spectroscopy. The theory supporting experiment detailed through examples, interplay discussed terms physical interest derived.