nqr_pa.m

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Nuclear quadrupole resonance soft pulse-acquire experiment. Idealised acquisition with infinite bandwidth is done.

Syntax

    spectrum=nqr_pa(spin_system,parameters,H,R,K)

Arguments

   parameters.sweep           vector with two elements giving
                              the spectrum window extents, Hz

   parameters.npoints         number of points in the spectrum

   parameters.rho0            initial state

   parameters.coil            detection state

   parameters.Lx              Lx and Ly operators that go into
   parameters.Ly              the RF Hamiltonian
                               
   parameters.rf_frq          RF irradiation frequency, Hz

   parameters.rf_pwr          the multiplier (rad/s) in front 
                              of [Lx*cos(ωt)+Ly*sin(ωt)] in the
                              RF Hamiltonian

   parameters.rf_dur          pulse duration, seconds

   H  - Hamiltonian matrix, received from context function

   R  - relaxation superoperator, received from context function

   K  - kinetics superoperator, received from context function

Outputs

   spectrum  - the spectrum of the system with the specified
               starting state detected on the specified coil
               state within the frequency interval requested

Notes

Relaxation must be present in the system dynamics, or the matrix inversion operation would fail to converge. The relaxation matrix R should *not* be thermalised.

See also

Solid state NMR experiments


Version 2.7, authors: Lewis Robertson, Ilya Kuprov