Two-orbital calculation

As an example, we return to the two orbital calculation of Figure 1 and eqs 17-18 for / . The strategy is calculate the states, g and c as above, but subject to an additional constraint This constraint is that the state have a fixed polarization. Technically, this is accomplished by introducing a LaGrangian multiplier (A) into the Schrodinger equation. The eigenvalue problem is then solved in the usual way subject to this constraint. The... 

Anharmonic oscillator-molecular orbital theory connection anharmonic energy profile, 97,98/ two-orbital calculation, 96-97,98/ Anharmonic springs, nonlinear polarizabilities, 90 Anionic group theory assumptions, 364-365... 

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