mirror of https://github.com/QMCPACK/qmcpack.git
30 lines
1009 B
XML
30 lines
1009 B
XML
<?xml version="1.0"?>
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<qmcsystem>
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<wavefunction name="psi0" target="e">
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<!-- Electron-electron Jastrow of Pade form -->
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<!-- For two electron system, only have up-down interaction -->
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<jastrow name="Jee" type="Two-Body" function="pade">
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<correlation speciesA="u" speciesB="d">
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<var id="jud_b" name="B">8.8437220061e-04</var>
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</correlation>
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</jastrow>
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<determinantset type="MO" key="STO" transform="no" source="ion0">
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<!-- Use a single Slater Type Orbital (STO) for the basis. Cusp condition is correct. -->
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<basisset>
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<atomicBasisSet type="STO" elementType="He">
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<basisGroup rid="R0" n="1" l="0" m="0" type="Slater">
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<radfunc exponent="2.0"/>
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</basisGroup>
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</atomicBasisSet>
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</basisset>
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<slaterdeterminant>
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<determinant id="updet" spin="1" size="1"/>
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<determinant id="downdet" spin="-1" size="1"/>
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</slaterdeterminant>
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</determinantset>
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</wavefunction>
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</qmcsystem>
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