Auflistung nach Autor "Caldeweyher, Eike-Hanno Jeremias"
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Development and Application of London Dispersion Corrections for Electronic Structure Methods
(2020-05-19)Mean-field electronic structure methods like<em> Hartree–Fock</em> ( HF ) or <em>Kohn–Sham</em> ( KS ) <em>Density Functional Theory </em>( DFT ) do not account for long-range correlation effects and consequently ...
