Full MCVB treatment

A full MCVB calculation on BeH with the above basis yields 504 doublet standard tableaux functions, and these combine into 344 symmetry functions. In Table 10.7 we give some details of the results with experimental values for comparison. The calculated is within 0.1 eV of the experimental value, the values of 

Re are quite close, and the vibrational frequency is within 60 cm . An experimental value for the dipole moment is apparently not known. 

The principal configurations in the wave function are shown as HLSP functions in Table 10.8 and as standard tableaux functions in Table 10.9. Considering the HLSP functions, the first is the ground state configuration of the separated atoms, the next two are bonding functions with the s-p hybrid of Be and the fourth contributes polarization to the Be2/ z component. The corresponding entries in the third and fourth columns of Table 10.9 do not include the tableau function with the orbital. 

We now consider the dipole moment, which we will analyze in terms of standard tableaux functions only. Our calculated value for the moment is fairly small, but it is 

---