Vibrational spectrum of BiH3: Six-dimensional variational calculations on high-level ab initio potential energy surfaces

Vibrational spectrum of FHF− from high-l

Vibrational spectrum of FHF− from high-level correlated calculations of potential energy surfaces

✍ Vladimir Špirko; Geerd H.F. Diercksen; Andrzej J. Sadlej; Miroslav Urban 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 645 KB

A series of high-level wmWed calculations of the potential energy surface for stretching vibrations of the FHF-ion has been carried out. The vibrational levels have been calculated by using the adiabatic appmch to the separation of low-(vl ) and higbfrequency (v~) modes and a flexible analytic repre