Examples of Vibrational Averaging Effects

In Tables 13.7 and 13.8 some illustrative examples of the zero-point-vibrational corrections to nuclear magnetic shielding constants, a, and indirect nuclear spin-spin coupling constants, J, are collected. 

Jensen, Introduction to Computational Chemistry, 2nd edn John Wiley Sons, Chichester (2007) Chapter 5. 

Ruden and K. Ruud, in M. Kaupp, M. Biihl and V. G. Malkin, ed. Calculation of NMR and EPR Parameters Theory and Applications, Wiley-VCH, Weinheim (2004)  

In this appendix, explicit expressions for all the perturbation operators are collected. They were derived in Chapters 4 to 8 by expressing the scalar and vector potentials in the molecular electronic Hamiltonian, Eq. (2.101), in terms of electric fields and various magnetic inductions. 

The scalar potential of an external electric field with non-zero gradient is, Eq. (4.28), = -in- Ro) Ro) 

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