Nuclear effects formula

In 1976 TET was first applied to H abstractions [53]. One year later Suhnel [54] used TET to explain radiationless transitions in indigoid compounds, and Phillips [55] tested the harmonic approximation used by the theory in H abstractions. CT interactions [56] and substituent effects [57] in H abstractions were also addressed, as well as H abstractions by uranyl ion [58]. Support for TET also came from the demonstration [59] that in radiationless transitions theories, some Franck-Condon factors may be expressed by a nuclear tunneling formula like the TET one. 

For molecules containing light atoms, we accordingly neglect this effect of finite nuclear volume or field shift, but other effects prevent exact application of isotopic ratios that one might expect on the basis of a proportionality with in formula 13 instead of total F. For this reason we supplement term coefficients in formula 8 for a particular isotopic species i with auxiliary coefficients [54],... 

The effective hamiltonian in formula 29 incorporates approximations that we here consider. Apart from a term V"(R) that originates in nonadiabatic effects [67] beyond those taken into account through the rotational and vibrational g factors, other contributions arise that become amalgamated into that term. Replacement of nuclear masses by atomic masses within factors in terms for kinetic energy for motion both along and perpendicular to the internuclear axis yields a term of this form for the atomic reduced mass. 

In all considerations above we have assumed the most natural theoretical definition of nuclear form factors, namely, the form factor was assumed to be an intrinsic property of the nucleus. Therefore, the form factor is defined via the effective nuclear-photon vertex in the absence of electromagnetic interaction. Such a form factor can in principle be calculated with the help of QCD. The electromagnetic corrections to the form factor defined in this way may be calculated in the framework of QED perturbation theory. Strictly speaking all formula above are valid with this definition of the form factor. 

It is much more difficult to take into account the influence of finite dimensions and form of the nucleus (volume effect) on the atomic energy levels, because we do not know exactly the nuclear volume, or its form, or the character of the distribution of the charge in it. Therefore, in such cases one sometimes finds it by subtracting its part (22.35) from the experimentally measured total isotopic shift. Further on, having the value of the shift caused by the volume effect, we may extract information on the structure and properties of the nucleus itself. For the approximate determination of the isotope shift, connected with the differences dro of the nuclear radii of two isotopes, the following formula may be used [15] ... 

---