ham_hf

Hyperfine interaction Hamiltonian.

Syntax
Hhf = ham_hf(Sys)
Hhf = ham_hf(Sys,eSpins,nucSpins)
Hhf = ham_hf(Sys,eSpins,nucSpins,'sparse')
Description

ham_hf constructs the hyperfine interaction part of the spin Hamiltonian of spin system spin system Sys, that is

[eqn]

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.

Examples

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.

See also

ham, ham_cf, ham_ee, ham_ez, ham_ezho, ham_nn, ham_nq, ham_nz, ham_oz, ham_so, ham_zf