Spherical Top Theory and Molecular Spectra

摘要: In this article, we present an overview of the state art theory high-resolution spherical-top spectra in framework effective Hamiltonian approach. We describe specific features class molecules to explain basic concepts theoretical methods used for analysis (line positions and intensities) simulation absorption (including pure rotation) Raman such species. The non conventional formalism that use is essentially based on irreducible tensor especially adapted computational treatments global analyses complex interacting band systems. give examples concerning mainly methane (CH4) sulfur hexafluoride (SF6). efficiency these not restricted spherical tops, as they also apply other molecular species or spectroscopic problems. demonstrate through recent developments including modeling effects collisions line shapes, rovibronic effects, well extensions with lower symmetry. computer implementation integral part modeling. conclude article free access programs databases developed Dijon group some species. Keywords: spherical tops; rovibrational spectroscopy; group theory; tensorial formalism; vibrational polyads; methane; sulfur hexafluoride; collisional broadening; extension symmetries; rovibronic spectra; programs