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In this work, we consider the particle-hole random phase approximation(phRPA), an approximation to the correlation energy in electronic structure,and show that the phRPA energy of the H2 molecule correctly dissociates. Thatis, as the hydrogen atoms are pulled apart, the phRPA energy of the systemconverges to twice the phRPA energy of a single hydrogen atom. Despite thesimplicity of the H2 system, the correct dissociation of H2 is known to be adifficult problem for density functional approximations. As part of our result,we prove that the phRPA correlation energy is well-defined.

Dissociation limit of the H2 molecule in the particle-hole random phase approximation