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- W4233643612 abstract "Publisher SummaryThis chapter discusses the parametric formulations of infrared absorption intensities of overtone and combination bands. Overtone and combination bands appear in the spectra as a result of mechanical and electrical anharmonicity. Higher order terms are needed to present more accurately the potential energy and the dipole moment function. Experimental evidence, as manifested in the observed overtone and combination bands, clearly shows that molecular vibrational wave function is not perfect harmonic oscillator wave functions. The higher order terms of the dipole moment expansion, in terms of normal coordinates, play a major role in determining the intensities of overtone and combination bands. The variational approach is quite approximate in the sense that it allows for large amplitude vibrational motion to be described by coordinates that refer to a linearized coordinate system. Such coordinates can be used in describing motions with infinitesimal amplitudes. It is found that if a standard perturbation theory is applied, there will be an extensive number of off-diagonal matrix elements of the first-order perturbation Hamiltonian appearing in the expressions for any molecular quantity estimated from second order matrix elements." @default.
- W4233643612 created "2022-05-12" @default.
- W4233643612 date "1996-01-01" @default.
- W4233643612 modified "2023-10-16" @default.
- W4233643612 title "Chapter 6 Parametric formulations of infrared absorption intensities of overtone and combination bands" @default.
- W4233643612 doi "https://doi.org/10.1016/s0090-1911(96)80011-4" @default.
- W4233643612 hasPublicationYear "1996" @default.
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