Difference between revisions of "Eigenfields.m"

From Spinach Documentation Wiki
Jump to: navigation, search
(Sync syntax/arguments/outputs with current Spinach source)
Line 1: Line 1:
 
{{DISPLAYTITLE:eigenfields.m}} __NOTOC__
 
{{DISPLAYTITLE:eigenfields.m}} __NOTOC__
 +
 
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]=eigenfields(spin_system,parameters,Iz,Qz,Ic,Qc,Hmw)
+
[tf,tm,tw,pd]=eigenfields(spin_system,parameters,Iz,Qz,Ic,Qc,Hmw)
  
 
==Arguments==
 
==Arguments==
  
−
    Iz  -  isotropic part of the laboratory frame Hamiltonian  
+
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
Line 53: Line 57:
 
==Outputs==
 
==Outputs==
  
−
    tf    -  vector of transition fields in Tesla
+
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

fieldsweep.m


Version 2.6, authors: Ilya Kuprov