International Journal

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, Jürgen Furthmüller

Computational Materials Science

1996

Elsevier BV

76329 citations

Article

Ab initio (0.63) Hamiltonian (control theory) (0.61) Basis set (0.55) Plane wave (0.54) Statistical physics (0.47)

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set - Full text available via OpenAlex

Georg Kresse

ORCID

Jürgen Furthmüller

ORCID

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