The breakdown of the Born-Oppenheimer approximation: the effective vibration-rotation hamiltonian for a diatomic molecule
作者： P.R. Bunker , R.E. Moss
DOI: 10.1080/00268977700100351
关键词: Vibration 、 Hamiltonian (quantum mechanics) 、 Molecular term symbol 、 Atomic physics 、 Diatomic molecule 、 Chemistry 、 Polyatomic ion 、 Molecule 、 Born–Oppenheimer approximation 、 Quantum mechanics 、 Kinetic energy
摘要: An effective vibration-rotation hamiltonian for the ground electronic state of a diatomic molecule is derived. The contact transformation used to account effect excited states complicated by parametric dependence zeroth-order energies on internuclear distance. contains an potential and two reduced masses, one vibrational rotational kinetic energies. Although method applied 1Σ molecules it can readily be extended other polyatomic molecules.
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