First-order Quadrupolar Static Lineshape

quad1_stat

****** The System ****************************************
spectrometer(MHz)  500
spinning_freq(kHz) *
channels           X(200 3/2)
nuclei             X
atomic_coords      *
cs_isotropic       *
csa_parameters     *
j_coupling         *
quadrupole         1 1000 0.25 0 0 0
dip_switchboard    *
csa_switchboard    *
exchange_nuclei    *
bond_len_nuclei    *
bond_ang_nuclei    *
tors_ang_nuclei    *
groups_nuclei      *
******* Pulse Sequence ************************************
CHN 1
timing(usec)      (0.5)1024
power(kHz)          0
phase(deg)          0
freq_offs(kHz)      0
****** Variables ******************************************
fig_title="First-Order Static Spectrum"
fig_options="--text 0.1,0.9,$I=3/2$"
******* Options *******************************************
rho0               I1x
observables        1.73|-1/2><-3/2| 1.73|3/2><1/2| I1p
EulerAngles        asgind100o
n_gamma            *
line_broaden(Hz)   *
zerofill           *
FFT_dimensions     1
options            -re -quad1 -rsp -py
***********************************************************
-- This computes the spectra produced by each of the two observable transitions individually (the first two observables), as well as the total spectum obtained by observing I1p.
-- Note that I1p=1.73205(|-1/2><-3/2|+|3/2><1/2|) + 2.0|1/2><-1/2|
This can be observed, for example by running this input file with options
-s -sm, or by running the quad_norm example
-- The -rsp (remove singular peaks) option removes coherences with orientation-indepenent frequencies from the spectra. Since the second-order-broadening is not present in the Hamiltonian (due to the -quad1 option), the central transition is removed from the I1p spectrum.
-- See quad2_stat for the second-order effects