voitlander.m

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Adaptively recursed Voitlander integrator. Computes an approximation of an integral of field-swept EPR transition over a spherical triangle.

Syntax

    spec=voitlander(spin_system,parameters,r1,r2,r3,tf1,tf2,tf3,...
                    tm1,tm2,tm3,tw1,tw2,tw3,Ic,Iz,Qc,Qz,Hmw,b_axis)

Arguments

    r1,r2,r3    - Cartesian coordinates of the corners of the
                  spherical triangle, unit column vectors

    tf1,tf2,tf3 - transition frequencies at the corners of the
                  spherical triangle, real column vectors, one
                  element per transition

    tm1,tm2,tm3 - transition moments at the corners of the sphe-
                  rical triangle, positive column vectors, one
                  element per transition

    tw1,tw2,tw3 - transition widths at the corners of the sphe-
                  rical triangle, positive column vectors, one
                  element per transition

    Ic          - isotropic part of the coupling Hamiltonian,
                  a Hermitian matrix (set retention to 'couplings'
                  in assume.m and then call hamiltonian.m)

    Qc          - irreducible components of the anisotropic part
                  of the coupling Hamiltonian a cell array re-
                  turned by hamiltonian.m

    Iz          - isotropic part of the Zeeman Hamiltonian, a
                  Hermitian matrix (set retention to 'zeeman'
                  in assume.m and then call hamiltonian.m) nor-
                  malised to 1 Tesla

    Qz          - irreducible components of the anisotropic part
                  of the Zeeman Hamiltonian a cell array retur-
                  ned by hamiltonian.m, normalised to 1 Tesla

    Hmw         - perturbation operator, a Hermitian matrix

    b_axis      - a vector of magnetic field values, Tesla

Outputs

    spec        - ESR spectrum integral over the triangle, array
                  of the same dimension as b_axis

See also

Integration grids, Appendix I: powder grids, fieldsweep.m


Version 2.6, authors: Ilya Kuprov