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Fix errors in latex formating of equations in Numerical orbitals

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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: 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 The index of the first data point for each shell is stored in
@ -303,7 +303,7 @@
\] \]
where 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 For convenience, this conversion and functions to evaluate the splines
are provided with trexio. Since these implementations are not adapted to are provided with trexio. Since these implementations are not adapted to