Adds a nuclear spin to a spin system.

NewSys = nucspinadd(Sys,Nuc,A)
NewSys = nucspinadd(Sys,Nuc,A,AFrame)
NewSys = nucspinadd(Sys,Nuc,A,AFrame,Q)
NewSys = nucspinadd(Sys,Nuc,A,AFrame,Q,QFrame)

This function adds the nucleus specified in Nuc to the spin system structure given in Sys and returns the spin system structure with this additional nucleus. A is an array containing the isotropic hyperfine coupling, the hyperfine principal values, or the full hyperfine tensor. Similarly, Q contains the quadrupole principal values or the full quadrupole tensor. AFrame and QFrame contain the Euler tilt angles for the respective tensors. See the page on spin system structures for details on how to specify A, Q, AFrame, and QFrame.

If any of AFrame, Q or QFrame is missing or set to [], it is set to [0 0 0].

The following two lines defines a system of an electron spin coupled to a ⁶³Cu and a ¹⁴N nucleus.

Sys = struct('S',1/2,'g',[2 2 2.2]);
Sys = nucspinadd(Sys,'63Cu',[50 50 520]);
Sys = nucspinadd(Sys,'14N',[3 3 9],[],[-1 -1 2]);

Note that the above is more convenient than the manual construction

Sys = struct('S',1/2,'g',[2 2 2.2],'Nucs','63Cu,14N');
Sys.A = [50 50 520; 3 3 9]);
Sys.Q = [0 0 0; -1 -1 2]);

since a nucleus can be included and excluded just by adding or removing a line.

To add a full hyperfine matrix, use

A = [10 0 0; 0 15 0; 0 0 30];
Sys = nucspinadd(Sys,'14N',A);

To add a full hyperfine matrix and a full quadrupole matrix, use

A = [10 0 0; 0 15 0; 0 0 30];
Q = [-1 0 0; 0 -1 0; 0 0 2];
Sys = nucspinadd(Sys,'14N',A,[],Q);

spin system structures, nucspinrmv