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most citedImpact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite

310 citations

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cond-mat.str-el2008★ 138 cited

Stable liquid Hydrogen at high pressure by a novel ab-initio molecular dynamics

Claudio Attaccalite, Sandro Sorella

We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ion…