nmr_sims.nuclei¶

The module enables specification of nuclei for use in generating spin systems (see nmr_sims.spin_system). A general Nucleus object allows any nucleus (even imaginary ones) to be created. As well as this, there are numerous pre-defined nuclei provided by supported_nuclei.

nmr_sims.nuclei.supported_nuclei = {'13C': <nmr_sims.nuclei.Nucleus object>, '15N': <nmr_sims.nuclei.Nucleus object>, '19F': <nmr_sims.nuclei.Nucleus object>, '1H': <nmr_sims.nuclei.Nucleus object>, '2H': <nmr_sims.nuclei.Nucleus object>, '31P': <nmr_sims.nuclei.Nucleus object>}¶

class nmr_sims.nuclei.Nucleus(name, gamma, multiplicity)[source]¶

An object representing the key properties of a nucleus for NMR simulation.

Create a Nucelus instance.

Parameters

name (str) – The name of the nucleus. This can be anything, but really it should be a str of the form "<mass><element>", such as "1H", "13C", etc.
gamma (float) – The gyromagnetic ratio of the nucleus in units of $\mathrm{rad} \mathrm{s}^{-1}\mathrm{T}^{-1}$ (i.e. in accordance with the values in the first column in the table found at this link multiplied by $10^6$ ).
multiplicity (int) – The number of eigenstates produced as a result of the Zeeman effect. This is equivalent to $2I + 1$ , where $I$ in the nuclear spin quantum number.