Variational calculation of bound-state energies and wavefunctions

2-4-2 Variational calculation of bound-state energies and wavefunctions 

In order to calculate bound-state energies and the corresponding eigenfunctions we expand I (R,r) according to 

The calculation of bound-state energies is part of molecular spectroscopy. Many efficient methods and computer codes have been developed 

Using expansion (2.43) for the initial (4fkiii) and the final ( lkfif) nu- 

In this section we extend the theory to bound-continuum transitions. In order to keep the presentation simple we consider again the triatomic linear molecule. More complicated cases are handled in a similar way. 

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