6.3. Vibrational spectra for ortho-para isomerization of hydrogen molecules
Figure 6.8 shows a table comparing the energy spacing in wavenumber pertaining to the vibrational spectra for ortho-para isomerization of hydrogen molecules from the following sources described by columns A to C:
is the energy in wave numbers produced by non-BO method with 10,000 basis functions [Sharkey].
is the energy in wave numbers produce by BO method [Komasa].
is experimental data in wave numbers [Dabrowski].
For each vibrational level 
with the differences presented in percent [Sharkey_1] described by D to G:
Here is the table [Sharkey_1]:
Figure 6.8 – Table comparing non-BO versus BO Computations to Experiment [Sharkey_1]
The non-BO method is highly accurate in predicting all states, including excited states, as shown in Figure 6.9, which presents columns A and B as a function of the vibrational quantum number...
