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Theoretical equation for intensity

First, lets define the dipole moment of a molecule to be:
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In order for a vibrational transition, the following must hold:
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An expectation value of some component of the dipole moment must not be equal to zero. If we expand the dipole moment as a Taylor series in terms of the normal coordinates:
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This can be truncated after the first two terms in the electrical harmonicity approximation. Substitution yields:
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Since vibrational states one and two are orthogonal, the first term is zero. Likewise, only those vibrational states belonging to the k normal coordinate will be non-zero in the integral. Furthermore, by assuming that the only accessable states are tex2html_wrap_inline477(mechanical harmonicity, the equation reduces to:
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In the double harmonic approximation combination bands and overtones will not be determined. Subsituting this into a definition for intensity yields:
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Tue Aug 12 10:50:18 EDT 1997