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Cartesian and Curvilinear Anharmonic Frequencies and Intensities: Perturb-then-Diagonalize Polyad Transport and Adiabatic Discrete-Variable Representation
Anharmonic intensities reveal vibrational coupling that band positions alone cannot determine. We derive explicit second-order infrared transition moments in curvilinear normal coordinates, including kinetic metric derivatives and transport through variational resonance polyads. The vibrational pert
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