Adds a nuclear spin to a spin system.
NewSys = nucspinadd(Sys,Nuc,A) NewSys = nucspinadd(Sys,Nuc,A,Apa) NewSys = nucspinadd(Sys,Nuc,A,Apa,Q) NewSys = nucspinadd(Sys,Nuc,A,Apa,Q,Qpa)
This function adds the isotope specified in Nuc
to the
spin system structure given in Sys
. A
is
a vector containing the hyperfine principal values, Q
contains the quadrupole principal values. Apa
and Qpa
contain the tilt angles for the respective tensors. See the page on
spin system structures.
If a parameter is []
, it is set to [0 0 0]
.
The default values for missing parameters (Apa
, Q
and Qpa
) is []
.
The following two lines defines a system of an electron spin coupled to a Cu and a N 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.
spin system structures, nucspinrmv