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The direct random-phase approximation (dRPA) is used to calculate and compareatomization energies for the HEAT set and 10 selected molecules of the G2-1 setusing both plane waves and Gaussian-type orbitals. We describe detailedprocedures to obtain highly accurate and well converged results for theprojector augmented-wave (PAW) method as implemented in the Vienna Ab-initioSimulation Package (VASP) as well as the explicitly correlated dRPA-F12 methodas implemented in the TURBOMOLE package. The two approaches agree withinchemical accuracy (1 kcal/mol) for the atomization energies of all consideredmolecules, both for the exact exchange as well as for the dRPA. The rootmean-square deviation is 0.41 kcal/mol for the exact exchange (evaluated usingdensity functional theory orbitals) and 0.33 kcal/mol for exact exchange plusthe random-phase approximation.

Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and Projector Augmented-wave methods