Procedures used to carry out the rotational frame transformation
Build the electronic S-matrix from the electronic K-matrix, then perform the rotational frame transformation on the S-matrix
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(inout), | allocatable | :: | Kmat(:,:) |
The K-matrix, needed as input for the RFT |
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| integer, | intent(in) | :: | Jmin |
The lowest value of J = N + l |
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| integer, | intent(in) | :: | Jmax |
The largest value of J = N + l |
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| type(cmatrix_type), | intent(out) | :: | Smat_J(Jmin:Jmax) |
The rotational S-matrices , produced by the RFT |
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| type(elec_channel_type), | intent(in) | :: | elec_channels(:) |
The array of electronic channels (n, l, ml), needed as input for the RFT |
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| type(N_states_type), | intent(in) | :: | N_states(:) |
The array of rotational states of the target (N, Ka, Kc), needed as input for the RFT |
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| type(asymtop_rot_channel_l_type), | intent(out), | allocatable | :: | asymtop_rot_channels_l(:) |
The array of rotational channels (N, Ka, Kc, l) that make up the basis of the S-matrix |
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| type(asymtop_rot_channel_l_vector_type), | intent(out) | :: | asymtop_rot_channels_l_J(Jmin:Jmax) |
The array of arrays of rotational channels (N, Ka, Kc, l) that make up the basis of the S-matrix subblocks at each J |
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| integer, | intent(in) | :: | spin_isomer_kind |
Spin isomer kind |
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| character(len=1), | intent(in) | :: | symaxis |
Symmetry axis for respecting nuclear spin symmetry |
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| logical, | intent(in) | :: | real_spherical_harmonics |
Whether the input K-matrices are evaluated in a basis of real spherical harmonics for the scattering electron. If .true., transform the S-matrix into a basis of complex-valued spherical harmonics |
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| character(len=*), | intent(in) | :: | point_group |
The point group of the calculation |