... | @@ -10,7 +10,7 @@ Throughout this page, we write the distance between two particles $`i`$ and $`j` |
... | @@ -10,7 +10,7 @@ Throughout this page, we write the distance between two particles $`i`$ and $`j` |
|
r_{ij} = \sqrt{(x_j-x_i)^2 + (y_j-y_i)^2 + (z_j-z_i)^2}
|
|
r_{ij} = \sqrt{(x_j-x_i)^2 + (y_j-y_i)^2 + (z_j-z_i)^2}
|
|
```
|
|
```
|
|
|
|
|
|
Atomic species are distinguished between electrode atoms and electrolyte atoms depending on their charge distribution. Electrode species are characterized by a Gaussian charge distribution of amplitude $`Q_i`$ and width $`\eta_i`$
|
|
Atomic species are distinguished between electrode atoms and electrolyte atoms depending on their charge distribution. Electrode species are characterized by a Gaussian charge distribution of amplitude $`Q_i`$ and width $`\eta_i^{-1}`$
|
|
|
|
|
|
```math
|
|
```math
|
|
\rho_i (\mathbf{r}) = Q_i \eta_i^3 \pi ^{-3/2} \exp(-\eta_i^2 |\mathbf{r} - \mathbf{r_i}|^2)
|
|
\rho_i (\mathbf{r}) = Q_i \eta_i^3 \pi ^{-3/2} \exp(-\eta_i^2 |\mathbf{r} - \mathbf{r_i}|^2)
|
... | | ... | |