Abstract
Vibrational magnetic dipole transition moments, and hence rotational strengths and vibrational circular dichroism intensities, are determined by the atomic axial tensors. The electronic contributions to the latter, I λ αβ), are related via a sum rule to the paramagnetic susceptibility tensor, χ ϱ αβ. Their accuracy can be gauged by comparison of χ ϱ αβ tensors calculated using this sum rule to experimental data. This procedure is used to evaluate the atomic polar tensor (APT) and localized molecular orbital (LMO) theories of vibrational magnetic dipole transition moments, implemented ab initio. Our conclusion in regard to the LMO theory is not in agreement with that recently arrived at by Polavarapu.
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