Difference between revisions of "Redfield integral serial.m"
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{{DISPLAYTITLE:redfield_integral_serial.m}} __NOTOC__ | {{DISPLAYTITLE:redfield_integral_serial.m}} __NOTOC__ | ||
| − | Redfield integral evaluation | + | Bloch-Wangsness-Redfield and Nakajima-Zwanzig integral evaluation through the serial path used inside [[relaxation.m]], following the notation of IK's paper (http://dx.doi.org/10.1016/j.jmr.2010.12.004) but replacing the numerical quadrature proposed there with the faster auxiliary matrix method described in http://dx.doi.org/10.1063/1.4928978; this include is used when relaxation.m is not at the top of the parallelisation call stack, while the asynchronous include is used when it is, and it should not be called directly. |
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| + | The calling theory block must set rlx_onshell (true selects the back-rotated kernel that reduces to Redfield theory at zero shift, false the resolvent kernel of Nakajima-Zwanzig theory) and rlx_shift (the Laplace evaluation point, Hz); Redfield theory is the on-shell form at zero shift. | ||
==Syntax== | ==Syntax== | ||
none - this is an include file | none - this is an include file | ||
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==Parameters== | ==Parameters== | ||
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==See also== | ==See also== | ||
| − | [[relaxation.m]], [[redfield_integral_async.m]] | + | [[relaxation.m]], [[redfield_integral_async.m]], [[autoexec.m]], [[bos_product_table.m]], [[fft_freq_axis.m]], [[fwhm2rlx.m]], [[icm2hz.m]], [[ifft_time_axis.m]], [[intrep.m]], [[istraceless.m]], [[kq2lin.m]], [[kronm.m]], [[lcurve.m]], [[lin2kq.m]], [[min_int_type.m]], [[prune_subgraphs.m]], [[repcols.m]], [[reprows.m]], [[serpentine.m]], [[st_product_table.m]], [[tikhol1n.m]], [[unihash.m]], [[which_subst.m]], [[xyz2hfc.m]], [[Kernel_utilities]] |
''Version 1.10, authors: [[Ilya Kuprov]]'' | ''Version 1.10, authors: [[Ilya Kuprov]]'' | ||
Latest revision as of 07:04, 30 August 2026
Bloch-Wangsness-Redfield and Nakajima-Zwanzig integral evaluation through the serial path used inside relaxation.m, following the notation of IK's paper (http://dx.doi.org/10.1016/j.jmr.2010.12.004) but replacing the numerical quadrature proposed there with the faster auxiliary matrix method described in http://dx.doi.org/10.1063/1.4928978; this include is used when relaxation.m is not at the top of the parallelisation call stack, while the asynchronous include is used when it is, and it should not be called directly.
The calling theory block must set rlx_onshell (true selects the back-rotated kernel that reduces to Redfield theory at zero shift, false the resolvent kernel of Nakajima-Zwanzig theory) and rlx_shift (the Laplace evaluation point, Hz); Redfield theory is the on-shell form at zero shift.
Syntax
none - this is an include file
Parameters
This include file is not called directly.
Outputs
This include file has no direct function return values.
See also
relaxation.m, redfield_integral_async.m, autoexec.m, bos_product_table.m, fft_freq_axis.m, fwhm2rlx.m, icm2hz.m, ifft_time_axis.m, intrep.m, istraceless.m, kq2lin.m, kronm.m, lcurve.m, lin2kq.m, min_int_type.m, prune_subgraphs.m, repcols.m, reprows.m, serpentine.m, st_product_table.m, tikhol1n.m, unihash.m, which_subst.m, xyz2hfc.m, Kernel_utilities
Version 1.10, authors: Ilya Kuprov
