Hyperfine interaction Hamiltonian.
Hhf = ham_hf(Sys) Hhf = ham_hf(Sys,eSpins,nucSpins) Hhf = ham_hf(Sys,eSpins,nucSpins,'sparse')
ham_hf
constructs the hyperfine interaction part of the spin Hamiltonian of spin system spin system Sys
, that is
The operator matrix Hhf
is in units of MHz.
If eSpins
and nucSpins
are specified, they select the electron and nuclear spins to include.
For eSpins
, 1 indicated the first electron spin.
For nucSpins
, 1 indicates the first nuclear spin.
For example, for a system with 3 electron spins and 2 nuclei, eSpins=2
and nucSpins=[1 2]
indicates the hyperfine interactions of electron 2 with both nuclei.
If 'sparse'
is given as third argument, the Hamiltonian matrix is returned in sparse format instead of full format.
For a two-spin system AB
AB = struct('S',1/2,'Nucs','23Na','g',[2 2 2],'A',[230 210 200]); AB.AFrame = [23 45 67]*pi/180;
with a hyperfine coupling matrix tilted with respect to the standard molecular frame, the eigenvalues of the hyperfine Hamiltonian are
E = eig(ham_hf(AB))
E = -270.1785 -267.8967 -262.5431 146.7712 150.1785 157.8967 172.5431 173.2288
Obviously the slight anisotropy in A causes the states of the combined spin S+I to split in zero field.
ham, ham_cf, ham_ee, ham_ez, ham_ezho, ham_nn, ham_nq, ham_nz, ham_oz, ham_so, ham_zf