A comparison of bond moment and charge flow models for vibrational circular dichroism intensities

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Abstract
Using the bond moment hypothesis, vibrational circular dichroism (VCD) intensity expressions are presented in a convenient form and compared to those derived in the charge flow model. While all other contributions are the same, the fixed charge contribution to magnetic dipole derivatives is represented differently in these two models. The charge flow model predictions in NHDT are in good agreement with those obtained from molecular orbital calculations, but the bond moment model predictions of VCD magnitudes are found to be much smaller.