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Hydrogen and Helium Atoms

Hydrogen Atom

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<?xml version="1.0"?>
<Simulation>
  <SuperCell a="25 A" x="1" y="1" z="1"/>
  <Species name="eup" count="1" mass="1 m_e" charge="-1"/>
  <Species name="H" count="1" mass="1.006780 amu" charge="+1"/>
  <Temperature value="10000 K" nslice="512"/>
  <Action>
    <SpringAction/>
    <CoulombAction norder="3" rmin="0.001" rmax="5." ngridPoints="1000"/>
  </Action>
  <Estimators>
    <ThermalEnergyEstimator unit="eV"/>
    <VirialEnergyEstimator unit="eV" nwindow="500"/>
    <CoulombEnergyEstimator unit="eV"/>
  </Estimators>
  <PIMC>
    <RandomGenerator/>
    <SetCubicLattice nx="2" ny="2" nz="2" a="1."/>
    <!-- Thermalize -->
    <Loop nrepeat="10000">
      <ChooseSection nlevel="6">
         <Sample npart="1" mover="Free" species="H"/>
         <Sample npart="1" mover="Free" species="eup"/>
      </ChooseSection>
    </Loop>
    <!-- Sample data -->
    <Loop nrepeat="100">
      <Loop nrepeat="300">
        <ChooseSection nlevel="7">
          <Sample npart="1" mover="Free" species="H"/>
          <Sample npart="1" mover="Free" species="eup"/>
        </ChooseSection>
        <Loop nrepeat="3">
          <ChooseSection nlevel="6">
            <Sample npart="1" mover="Free" species="eup"/>
          </ChooseSection>
        </Loop>
        <Loop nrepeat="5">
          <ChooseSection nlevel="5">
            <Sample npart="1" mover="Free" species="eup"/>
          </ChooseSection>
        </Loop>
        <Measure estimator="all"/>
      </Loop>
      <Collect estimator="all"/>
    </Loop>
  </PIMC>
</Simulation>

Helium Atom

Quantum Dots

Quantum Wires

Electron Gasses

Laser Trapped Atoms