Anharmonic oscillator-molecular orbital theory connection

The anharmonic oscillator - molecular orbital theory connection... [Pg.102]

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... [Pg.720]

We have shown the molecular orbital theory origin of structure - function relationships for electronic hyperpolarizability. Yet, much of the common language of nonlinear optics is phrased in terms of anharmonic oscillators. How are the molecular orbital and oscillator models reconciled with one another The potential energy function of a spring maps the distortion energy as a function of its displacement. A connection can indeed be drawn between the molecular orbitals of a molecule and its corresponding effective oscillator . [Pg.102]