Difference between revisions of "Eigenfields.m"
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{{DISPLAYTITLE:eigenfields.m}} __NOTOC__ | {{DISPLAYTITLE:eigenfields.m}} __NOTOC__ | ||
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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. | 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== | ==Syntax== | ||
| − | + | [tf,tm,tw,pd]=eigenfields(spin_system,parameters,Iz,Qz,Ic,Qc,Hmw) | |
==Arguments== | ==Arguments== | ||
| − | + | Iz - isotropic part of the laboratory frame Hamiltonian | |
operator (Hilbert space) or commutation superopera- | operator (Hilbert space) or commutation superopera- | ||
tor (Liouville space, containing only Zeeman terms | tor (Liouville space, containing only Zeeman terms | ||
at 1 Tesla | at 1 Tesla | ||
| − | + | ||
Qz - anisotropic part of the laboratory frame Hamiltoni- | Qz - anisotropic part of the laboratory frame Hamiltoni- | ||
an operator (Hilbert space) or commutation supero- | an operator (Hilbert space) or commutation supero- | ||
| − | perator (Liouville space, containing only Zeeman | + | perator (Liouville space, containing only Zeeman |
terms at 1 Tesla | terms at 1 Tesla | ||
| − | + | ||
Ic - isotropic part of the laboratory frame Hamiltonian | Ic - isotropic part of the laboratory frame Hamiltonian | ||
operator (Hilbert space) or commutation superopera- | operator (Hilbert space) or commutation superopera- | ||
tor (Liouville space, containing all spin-spin cou- | tor (Liouville space, containing all spin-spin cou- | ||
plings, but no Zeeman terms | plings, but no Zeeman terms | ||
| − | + | ||
Qc - anisotropic part of the laboratory frame Hamiltoni- | Qc - anisotropic part of the laboratory frame Hamiltoni- | ||
an operator (Hilbert space) or commutation supero- | an operator (Hilbert space) or commutation supero- | ||
perator (Liouville space, containing all spin-spin | perator (Liouville space, containing all spin-spin | ||
couplings, but no Zeeman terms | couplings, but no Zeeman terms | ||
| − | + | ||
Hmw - observable operator (Hilbert space) or observable | Hmw - observable operator (Hilbert space) or observable | ||
| − | vector (Liouville space), without the amplitude | + | vector (Liouville space), without the amplitude |
prefactor | prefactor | ||
| − | + | ||
parameters.window - magnet field window, Tesla | parameters.window - magnet field window, Tesla | ||
| − | + | ||
parameters.mw_freq - microwave frequency, Hz | parameters.mw_freq - microwave frequency, Hz | ||
| − | + | ||
parameters.orientation - three Euler angles in radians | parameters.orientation - three Euler angles in radians | ||
specifying the system orientation | specifying the system orientation | ||
| − | + | ||
| − | parameters.tm_tol - relative transition moment | + | parameters.tm_tol - relative transition moment |
tolerance | tolerance | ||
| − | + | ||
parameters.pp_tol - peak position tolerance in Tesla, | parameters.pp_tol - peak position tolerance in Tesla, | ||
this should be much smaller than | this should be much smaller than | ||
the typical line width | the typical line width | ||
| − | + | ||
| + | parameters.fwhm - transition full width at half | ||
| + | maximum, Tesla | ||
| + | |||
parameters.rspt_order - perturbation theory order to use | parameters.rspt_order - perturbation theory order to use | ||
to account for the off-diagonal | to account for the off-diagonal | ||
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==Outputs== | ==Outputs== | ||
| − | + | tf - vector of transition fields in Tesla | |
| − | + | ||
tm - vector of transition moments | tm - vector of transition moments | ||
| − | + | ||
tw - vector of transition FWHMs in Tesla | tw - vector of transition FWHMs in Tesla | ||
| + | |||
| + | pd - vector of energy level population differences | ||
| + | |||
| + | ilya.kuprov@weizmann.ac.il | ||
==Notes== | ==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. | 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== | ==See also== | ||
| + | |||
[[fieldsweep.m]] | [[fieldsweep.m]] | ||
''Version 2.6, authors: [[Ilya Kuprov]]'' | ''Version 2.6, authors: [[Ilya Kuprov]]'' | ||
Revision as of 15:02, 5 April 2026
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,pd]=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.fwhm - transition full width at half
maximum, Tesla
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
pd - vector of energy level population differences
ilya.kuprov@weizmann.ac.il
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