A Strong Multistate Interaction in the NO Molecule

A numerical deperturbation of the NO B2n, L2n, and C2n states has been performed by Gallusser and Dressier (1982) in which many vibrational levels were simultaneously deperturbed (see Section 6.2.2). Another deperturbation, which included the D2S+ state, has been performed (Lefebvre-Brion, unpublished calculation). In this four-state deperturbation, only one vibrational level from each state was treated. The deperturbed levels are represented by the straight lines on Fig. 4.2 (solid lines for 2n states, dashed lines for D2E). The effective interaction matrix elements obtained from the four-state deperturba- 

Each observed rotational eigenstate may be expressed as an explicit linear combination of deperturbed basis substates. The mixing coefficients are obtained from the eigenvectors of the four-state effective Hamiltonian (which are generated when the Hamiltonian is numerically diagonalized). For each value of J ( except J = -g) there are seven e-parity and seven /-parity basis substates (three f and three = 2n functions and one 2E+ function). 

The electronic and vibrational character of this level is also poorly defined 

and Verges, J. (1982), Phys. Scr. 25, 302 (Note a sign error in the off-diagonal matrix element between 2rti/2 and 2n3/2). 

Hellmann, H. (1937), Einfuhrung in die Quantenchemie, Franz Deuticke, Vienna. Herschbach, D. (1956), unpublished notes. 

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