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Several fixes.
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docs/src/gettingstarted/aceintro.md

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@@ -42,14 +42,14 @@ Next, we form the $$N$$-correlations of the density, ``\rho^{\otimes N}`` and pr
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= \Big\langle \otimes_{t = 1}^N \phi_{n_t l_t m_t}, \rho^{\otimes N} \Big\rangle
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= \prod_{t = 1}^N A_{n_t l_t m_t}.
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```
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The reason to introduce these is that in the next step, the symmetrisation step the density project would loose all angular information while the ``N``-correlations retain most (though not all) of it.
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The reason to introduce these is that in the next step, the symmetrisation step, the density project would lose all angular information while the ``N``-correlations retain most (though not all) of it.
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### Symmetrisation
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Finally, we symmetrize the ``N``-correlations, by integrating over the ``O(3)``-Haar measure,
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Finally, we symmetrise the ``N``-correlations, by integrating over the ``O(3)``-Haar measure,
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```math
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B_{\bm nlm} \propto
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\int_{O(3)} {\bm A}_{\bm nlm} \circ Q \, dQ
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B_{\mathbf{nlm}} \propto
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\int_{O(3)} {\bm A}_{\mathbf{nlm}} \circ Q \, dQ
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```
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Because of properties of the spherical harmonics one can write this as
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```math
@@ -64,4 +64,4 @@ Notes:
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### Linear Dependence
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The construction described above introduces a lot of linear dependence which is removed in the ACE basis construction in a mixed symbolic / numerical procedure. In the end we no longer index the symmetrized basis functions as ``B_{\bm nlm}`` but as ``B_{{\bm nl}i}`` with ``i`` indexing the linearly independent basis functions from the ``{\bm nl}`` block.
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The construction described above introduces a lot of linear dependence which is removed in the ACE basis construction in a mixed symbolic / numerical procedure. In the end we no longer index the symmetrized basis functions as ``B_{\bm nlm}`` but as ``B_{\mathbf{nl}i}`` with ``i`` indexing the linearly independent basis functions from the ``\mathbf{nl}`` block.

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