eigenfields.m
% Computes resonance fields. For a Hamiltonian Hc+b*Hz, returns all magnetic fields b for which the difference between two eigenvalues of Hc+b*Hz is equal to the frequency provided, and the transition moment across the specified operator Hmw is significant.
Syntax
[tf,tm,tw]=eigenfields(spin_system,parameters,Iz,Qz,Ic,Qc,Hmw)
Arguments
Iz - isotropic part of the laboratory frame Hamiltonian
operator (Hilbert space) or commutation superopera-
tor (Liouville space, containing only Zeeman terms
at 1 Tesla
Qz - anisotropic part of the laboratory frame Hamiltoni-
an operator (Hilbert space) or commutation supero-
perator (Liouville space, containing only Zeeman
terms at 1 Tesla
Ic - isotropic part of the laboratory frame Hamiltonian
operator (Hilbert space) or commutation superopera-
tor (Liouville space, containing all spin-spin cou-
plings, but no Zeeman terms
Qc - anisotropic part of the laboratory frame Hamiltoni-
an operator (Hilbert space) or commutation supero-
perator (Liouville space, containing all spin-spin
couplings, but no Zeeman terms
Hmw - observable operator (Hilbert space) or observable
vector (Liouville space), without the amplitude
prefactor
parameters.window - magnet field window, Tesla
parameters.mw_freq - microwave frequency, Hz
parameters.orientation - three Euler angles in radians
specifying the system orientation
parameters.tm_tol - relative transition moment
tolerance
parameters.pp_tol - peak position tolerance in Tesla,
this should be much smaller than
the typical line width
parameters.rspt_order - perturbation theory order to use
to account for the off-diagonal
part of the Hamiltonian, Inf for
exact diagonalisation
Outputs
tf - vector of transition fields in Tesla
tm - vector of transition moments
tw - vector of transition FWHMs in Tesla
Notes
In Hilbert space, the very efficient Schweiger-Stoll method is used. In Liouville space, the very general but rather slow generalised eigensolver supplied with Matlab is used.
See also
Version 2.6, authors: Ilya Kuprov