nquad
Introduced in 0.99
Synopsis

Construct Hamiltonian of nuclear quadrupole interactions.

F = nquad(SpinSystem)
F = nquad(SpinSystem,Nuclei)
Description

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.

Examples

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.

See also

eeint, hfine, internal, sham, zeeman, zfield