Difference between revisions of "Redfield integral serial.m"

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{{DISPLAYTITLE:redfield_integral_serial.m}} __NOTOC__
 
{{DISPLAYTITLE:redfield_integral_serial.m}} __NOTOC__
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Evaluates the Redfield integral 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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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==

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