... | @@ -58,17 +58,17 @@ Role of $`f_{\textrm{reg.}}`$ is to exclude from computation regions of small de |
... | @@ -58,17 +58,17 @@ Role of $`f_{\textrm{reg.}}`$ is to exclude from computation regions of small de |
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/**
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/**
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* Meaningful only in case of ASLDA.
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* Meaningful only in case of ASLDA.
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* Parameters defining stabilization procedure of ASLDA functional.
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* Parameters defining stabilization procedure of ASLDA functional.
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* For regions with density smaller than ASLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY
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* For regions with density smaller than SLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY
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* contribution from current term j^2/2n is assumed to be zero.
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* contribution from current term j^2/2n is assumed to be zero.
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* For regions with density above ASLDA_STABILIZATION_RETAIN_ABOVE_DENSITY
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* For regions with density above SLDA_STABILIZATION_RETAIN_ABOVE_DENSITY
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* the contribution is assumed to be intact by stabilization procedure.
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* the contribution is assumed to be intact by stabilization procedure.
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* */
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* */
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#define ASLDA_STABILIZATION_RETAIN_ABOVE_DENSITY 1.0e-5
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#define SLDA_STABILIZATION_RETAIN_ABOVE_DENSITY 1.0e-5
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#define ASLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY 1.0e-7
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#define SLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY 1.0e-7
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```
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```
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There meaning is presented on the figure below.
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There meaning is presented on the figure below.
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![stabilization](uploads/740d294dbfb30a203cabec0b140fa326/stabilization.png)
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![stabilization](uploads/740d294dbfb30a203cabec0b140fa326/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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Smooth transition between densities `SLDA_STABILIZATION_EXCLUDE_BELOW_DENISTY` and `SLDA_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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## Chemical potential
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## Chemical potential
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The spin-symmetric and uniform unitary Fermi is expected to be scale-invariant where the following relations for the total energy and the chemical potential satisfy: $`E=\xi E_\textrm{ffg}`$ and $`\mu=\xi \varepsilon_{\textrm{F}}`$, where $`\xi\approx 0.4`$ is the Bertch parameter. However, in numerical realization, the relation for the chemical potential is satisfied only in the limit of very low densities. It is demonstrated in the table below, where results for the uniform solution obtained on lattice `128x128x128` with `DX=1` is presented, and $`k_{\textrm{F}}=\sqrt{2\varepsilon_{\textrm{F}}}=(6\pi^2 n_{\uparrow})^{1/3}`$.
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The spin-symmetric and uniform unitary Fermi is expected to be scale-invariant where the following relations for the total energy and the chemical potential satisfy: $`E=\xi E_\textrm{ffg}`$ and $`\mu=\xi \varepsilon_{\textrm{F}}`$, where $`\xi\approx 0.4`$ is the Bertch parameter. However, in numerical realization, the relation for the chemical potential is satisfied only in the limit of very low densities. It is demonstrated in the table below, where results for the uniform solution obtained on lattice `128x128x128` with `DX=1` is presented, and $`k_{\textrm{F}}=\sqrt{2\varepsilon_{\textrm{F}}}=(6\pi^2 n_{\uparrow})^{1/3}`$.
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