mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 11:03:29 +01:00
Update README.md
This commit is contained in:
parent
da7edff3b7
commit
ea67ba8632
@ -12,14 +12,8 @@ The main keywords are:
|
||||
1. **none:** No 2e-Jastrow is used.
|
||||
|
||||
2. **rs-dft:** 2e-Jastrow inspired by Range Separated Density Functional Theory. It has the following shape:
|
||||
\begin{equation}
|
||||
\tau = \frac{1}{2} \sum_{i,j \neq i} u(\mathbf{r}_i, \mathbf{r}_j),
|
||||
\end{equation}
|
||||
with,
|
||||
\begin{equation}
|
||||
u(\mathbf{r}_1, \mathbf{r}_2) = u(r_{12}) = \frac{r_{12}}{2} \left[ 1 - \text{erf}(\mu \, r_{12}) \right] - \frac{\exp\left[- (\mu \, r_{12})^2\right]}{2 \sqrt{\pi} \mu}.
|
||||
\end{equation}
|
||||
|
||||
\[ \tau = \frac{1}{2} \sum_{i,j \neq i} u(\mathbf{r}_i, \mathbf{r}_j) \]
|
||||
with, \[ u(\mathbf{r}_1, \mathbf{r}_2) = u(r_{12}) = \frac{r_{12}}{2} \left[ 1 - \text{erf}(\mu \, r_{12}) \right] - \frac{\exp\left[- (\mu \, r_{12})^2\right]}{2 \sqrt{\pi} \mu} \]
|
||||
|
||||
|
||||
## env_type Options
|
||||
|
Loading…
Reference in New Issue
Block a user