Construct Hamiltonian of nuclear quadrupole interactions.
F = nquad(SpinSystem) F = nquad(SpinSystem,Nuclei)
nquad
calculates the Hamiltonian of
nuclear quadrupole interactions
(NQI) in the spin system SpinSystem
. If only one
argument is given, the NQI of all nuclei of the system are added. If
the vector Nuclei
is given, only nuclei specified in the vector
are included in the calculation. In Nuclei
, 1 determines the
first nucleus, 2 the second and so on.
See the section about spin system structures on how to specify NQI parameters. See the section on and nuclear quadrupole interaction for more details about the Hamiltonian.
For a system AB
with one electron and three nuclei,
nquad(AB,2)
returns the NQI Hamiltonian of the second nucleus
only, whereas nquad(AB)
gives the sum of the NQI of all three
nuclei.
eeint, hfine, internal, sham, zeeman, zfield