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Fix errors in latex formating of equations in Numerical orbitals

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This commit is contained in:
Otto Kohulak 2024-03-13 13:59:57 +01:00
parent c368ac4c9d
commit 0a488e16bc
1 changed files with 3 additions and 3 deletions
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@ -276,10 +276,10 @@
Laplacian easily as follows:
\[
\grad_{x_i} \phi = \frac{x_i}{r^2}\left u\prime(r) - \frac{u(r)}{r}\right
\nabla_{x_i} \phi = \frac{x_i}{r^2}\left( u^\prime\left(r\right) - \frac{u\left(r\right)}{r}\right)
\]
\[
\Delta \phi = \frac{1}{r^3}\left x^2 u''(r) + \left3x^2-r^2\right \left \frac{u(r)}{r^2} - \frac{u'(r)}{r}\right \right
\Delta \phi = \frac{1}{r^3}\left(x^2 u^{\prime\prime}(r) + \left( 3x^2-r^2\right) \left( \frac{u(r)}{r^2} - \frac{u'(r)}{r}\right) \right)
\]
The index of the first data point for each shell is stored in
@ -303,7 +303,7 @@
\]
where
\[
c = \log\left \frac{r_1}{r_0}\right.
c = \log\left(\frac{r_1}{r_0}\right)
\]
For convenience, this conversion and functions to evaluate the splines
are provided with trexio. Since these implementations are not adapted to