Difference between revisions of "Intrep.m"
(Normalise sequential blank lines) |
(Update function See also links and function index membership) |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
| − | {{DISPLAYTITLE:intrep.m}} | + | {{DISPLAYTITLE:intrep.m}} __NOTOC__ |
Interaction representation transformation with respect to a specified Hamiltonian to specified order in perturbation theory (https://doi.org/10.1063/1.4928978). | Interaction representation transformation with respect to a specified Hamiltonian to specified order in perturbation theory (https://doi.org/10.1063/1.4928978). | ||
| Line 6: | Line 6: | ||
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 | ||
| Line 32: | Line 32: | ||
==See also== | ==See also== | ||
| − | [[dirdiff.m]], [[expmint.m]], [[average.m]] | + | [[dirdiff.m]], [[expmint.m]], [[average.m]], [[autoexec.m]], [[bos_product_table.m]], [[fft_freq_axis.m]], [[fwhm2rlx.m]], [[icm2hz.m]], [[ifft_time_axis.m]], [[istraceless.m]], [[kq2lin.m]], [[kronm.m]], [[lcurve.m]], [[lin2kq.m]], [[min_int_type.m]], [[prune_subgraphs.m]], [[redfield_integral_async.m]], [[redfield_integral_serial.m]], [[repcols.m]], [[reprows.m]], [[serpentine.m]], [[st_product_table.m]], [[tikhol1n.m]], [[unihash.m]], [[which_subst.m]], [[xyz2hfc.m]], [[Kernel_utilities]] |
''Version 2.2, authors: [[Ilya Kuprov]], [[David Goodwin]]'' | ''Version 2.2, authors: [[Ilya Kuprov]], [[David Goodwin]]'' | ||
Latest revision as of 19:38, 6 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, autoexec.m, bos_product_table.m, fft_freq_axis.m, fwhm2rlx.m, icm2hz.m, ifft_time_axis.m, istraceless.m, kq2lin.m, kronm.m, lcurve.m, lin2kq.m, min_int_type.m, prune_subgraphs.m, redfield_integral_async.m, redfield_integral_serial.m, repcols.m, reprows.m, serpentine.m, st_product_table.m, tikhol1n.m, unihash.m, which_subst.m, xyz2hfc.m, Kernel_utilities
Version 2.2, authors: Ilya Kuprov, David Goodwin