mirror of https://github.com/QMCPACK/qmcpack.git
47 lines
1.8 KiB
TeX
47 lines
1.8 KiB
TeX
\subsection{Homogeneous electron gas}
|
|
\label{sec:hegbasis}
|
|
|
|
The interacting Fermi Liquid has its own special determinantset for filling up a
|
|
Fermi surface. The shell number can be specified separately for both spin up and spin down.
|
|
This determines how many electrons to include of each time, only closed shells are currently
|
|
implemented. The shells are filled according to the rules of a square box, if other lattice
|
|
vectors are used, the electrons may not fill up a complete shell.
|
|
|
|
This following example can also be used for Helium simulations too, by specifying the
|
|
proper pair interaction in the Hamiltonian section.
|
|
|
|
\begin{lstlisting}[caption=2D Fermi Liquid example: particle specification ]
|
|
<qmcsystem>
|
|
<simulationcell name="global">
|
|
<parameter name="rs" pol="0" condition="74">6.5</parameter>
|
|
<parameter name="bconds">p p p</parameter>
|
|
<parameter name="LR_dim_cutoff">15</parameter>
|
|
</simulationcell>
|
|
<particleset name="e" random="yes">
|
|
<group name="u" size="37">
|
|
<parameter name="charge">-1</parameter>
|
|
<parameter name="mass">1</parameter>
|
|
</group>
|
|
<group name="d" size="37">
|
|
<parameter name="charge">-1</parameter>
|
|
<parameter name="mass">1</parameter>
|
|
</group>
|
|
</particleset>
|
|
</qmcsystem>
|
|
\end{lstlisting}
|
|
|
|
\begin{lstlisting}[caption=2D Fermi Liquid example (Slater Jastrow wave function) ]
|
|
<qmcsystem>
|
|
<wavefunction name="psi0" target="e">
|
|
<determinantset type="electron-gas" shell="7" shell2="7" randomize="true">
|
|
</determinantset>
|
|
<jastrow name="J2" type="Two-Body" function="Bspline" print="no">
|
|
<correlation speciesA="u" speciesB="u" size="8" cusp="0">
|
|
<coefficients id="uu" type="Array" optimize="yes">
|
|
</correlation>
|
|
<correlation speciesA="u" speciesB="d" size="8" cusp="0">
|
|
<coefficients id="ud" type="Array" optimize="yes">
|
|
</correlation>
|
|
</jastrow>
|
|
\end{lstlisting}
|