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