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Anthony Scemama 2021-02-03 00:05:48 +01:00
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@ -2763,7 +2763,7 @@ gfortran hydrogen.f90 qmc_stats.f90 pdmc.f90 -o pdmc
Change your PDMC code for one of the following:
- the Helium atom, or
- the H$_2$ molecule at $R$=1.401 bohr.
- the H_2 molecule at $R$ =1.401 bohr.
And compute the ground state energy.