Ab initiomolecular dynamics for open-shell transition metals

American Physical Society (APS) - Tập 48 Số 17 - Trang 13115-13118
Georg Kresse1, J. Häfner1
1Institut für Theoretische Physik Technische Universiät Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria

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