A code for analysis of the fine structure in near-rigid weakly-bonded open-shell complexes that consist of a diatomic radical in a state and a closed-shell molecule

The Sextic Centrifugal Distortion Terms

The Sextic Centrifugal Distortion Terms for an Open-Shell Complex Consisting of a Diatomic Molecule in a 2S+1Σ Electronic State and a Closed-Shell Partner

✍ Wafaa M. Fawzy; Reham M. Reda 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 137 KB

An effective Hamiltonian for calculating rotational energy levels of an open-shell diatomic molecule, in a 2Sϩ1 ⌺ electronic state, weakly bonded to a closed-shell partner was presented (W. M. Fawzy, J. Mol. Spectrosc. 191, 68 -80 (1998)). The Hamiltonian was given as H ϭ H ev ϩ H rot ϩ H sr ϩ H ss