... | ... | @@ -13,7 +13,7 @@ The functional has the generic form: |
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\end{aligned}
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```
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TODO
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# Stabilization of ASLDA functional
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## Stabilization of ASLDA functional
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In the case of calculations for trapped system term $`\frac{\bm{j}_{\sigma}^2}{2n_{\sigma}}`$ is source of numerical instabilities. Precisely, for small density regions we have:
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* $`n_{\sigma}\rightarrow 0`$,
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* $`\bm{j}_{\sigma}\rightarrow 0`$,
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... | ... | @@ -37,5 +37,5 @@ Role of $`f_{\textrm{reg.}}`$ is to exclude from computation regions of small de |
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#define ASLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY 1.0e-7
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```
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There meaning is presented on the figure below.
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![stabilization](uploads/6528cf3b55ebb0d55a3e7f62a6124a83/stabilization.png)
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Smooth transition between densities `ASLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY` and `ASLDA_STABILIZATION_RETAIN_ABOVE_DENSITY` |
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\ No newline at end of file |
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![stabilization](uploads/6528cf3b55ebb0d55a3e7f62a6124a83/stabilization.png)
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Smooth transition between densities `ASLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY` and `ASLDA_STABILIZATION_RETAIN_ABOVE_DENSITY` is introduced in order to avoid discontinuities for quantities, that may lead to divergences when computing derivatives. |
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\ No newline at end of file |