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improved dipolar theory
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simongravelle committed Jan 4, 2024
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18 changes: 17 additions & 1 deletion docs/source/theory/dipolar_relaxation.rst
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Expand Up @@ -155,5 +155,21 @@ Isotropic system
.. container:: justify

needs to be evaluated.
needs to be evaluated. One can check the validity of the
relation :math:`G^{(0)} = 6 G^{(1)} = 6 / 4 G^{(2)}` on a simple
bulk water system with 4000 molecules, similarly to what
was done in Ref. :cite:`becherMolecularDynamicsSimulations2021`
with glycerol.

.. image:: ../figures/illustrations/bulk-water/effect_of_anisotropy-dark.png
:class: only-dark
:alt: NMR results obtained from the LAMMPS simulation of water

.. image:: ../figures/illustrations/bulk-water/effect_of_anisotropy-light.png
:class: only-light
:alt: NMR results obtained from the LAMMPS simulation of water

.. container:: figurelegend

Figure: Validity of the relation :math:`G^{(0)} = 6 G^{(1)} = 6 / 4 G^{(2)}`
on a bulk water system.

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