The unique example of approximation of the electronic term of diatomic molecules by Morse potential. HF, DF, TF.
Abstract
The Morse approximations M1(r) and M2(r) of the 1Σ+ ground state potential curves of three hydrofluoride isotopologues are analyzed. Qualitative differences between HF and heavy isotopologues were found. The result of the HF approximation is a function mainly described by the characteristics of a simple term. For HF, the anharmonicity M1(r) is lower than for M2(r), ωехеωехе' and De
Fields of Study & Subjects
Quantum Mechanics and Non-Hermitian Physics
Inorganic Fluorides and Related Compounds
High-pressure geophysics and materials
Publication details
- Journal / source
- ChemRxiv
- Publication date
- 8 January 2026
- Document type
- Preprint