Difference between revisions of "Intrep.m"
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Hr=intrep(spin_system,H0,H,T,order) | Hr=intrep(spin_system,H0,H,T,order) | ||
| − | == | + | ==Parameters== |
H0 - the Hamiltonian with respect to which the | H0 - the Hamiltonian with respect to which the | ||
Revision as of 18:49, 5 June 2026
Interaction representation transformation with respect to a specified Hamiltonian to specified order in perturbation theory (https://doi.org/10.1063/1.4928978).
Syntax
Hr=intrep(spin_system,H0,H,T,order)
Parameters
H0 - the Hamiltonian with respect to which the
interaction representation transformation
is to be done, typically Zeeman Hamiltonian
H - laboratory frame Hamiltonian H0+H1 that is
to be transformed into the interaction rep-
resentation, typically the full Hamiltonian
T - period of the H0 propagator
order - perturbation theory order in the rotating
frame transformation, this may be inf
Outputs
Hr - Hamiltonian in the interaction representation
Examples
See 14N quadrupolar NMR examples (examples/nmr_solids/rframe_nqi_*.m) where the quadrupolar shift is a second order perturbation theory property.
Notes
This module is called by context functions when the user specifies a numerical rotating frame transformation. It is generally a good idea to do this when your interactions are not much smaller than the Zeeman Hamiltonian, but you are not willing to run the calculation in the laboratory frame.
See also
dirdiff.m, expmint.m, average.m
Version 2.2, authors: Ilya Kuprov, David Goodwin