Canonical perturbation theory versus Born–Oppenheimer-type separation of motions: The vibrational dynamics of C[sub 3]

Calculation of Rotation–Vibration Energy

Calculation of Rotation–Vibration Energy Levels in Ground State C3by a Born–Oppenheimer-Type Separation of the Vibrational Motions

✍ V. špirko; Markus Mengel; Per Jensen 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 330 KB

has been used to determine effective bending potentials and reduced masses for C 3 in the lowest stretching vibrational states by performing a Born-Oppenheimer separation of the bending and stretching motions. These calculations were based on a potential energy function obtained in a least-squares f