Publikationsrepositorium - Helmholtz-Zentrum Dresden-Rossendorf

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Using ADF in computational actinide chemistry

Patzschke, M.

Abstract

ADF (Amsterdam Density Functional code) is a quantum chemical code that allows computations for molecules containing all elements in the periodic table. We will present its capabilities, demonstrate its usage and instruct the participants to set up their own calculations.

Keywords: computational chemsitry; DFT; actinides

  • Eingeladener Vortrag (Konferenzbeitrag)
    ThUL school 2105, 28.09.2015, Karlsruhe, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-23977