MOLCAS Workshop lectures

  • Molcas Workshop introduction R.Lindh
  • Overview of Molcas V.Veryazov
  • Basis Sets. RI and Cholesky methods in MOLCAS R.Lindh
  • Symmetry in MOLCAS P-Å.Malmqvist
  • HF and DFT in MOLCAS V.Veryazov
  • Multiconfigurational Quantum Chemistry B.Roos, R. Lindh
  • Geometry optimization with and without constrains R.Lindh
  • Relativistic calculations using Molcas P-Å.Malmqvist
  • Molcas for advanced users V.Veryazov
  • Excited States L.Serrano-Andrés
  • QM/MM in MOLCAS N. Ferre, R.Lindh
  • Solvent effects in Molcas L.Serrano-Andrés
  • Some practical hints to use Molcas L.Serrano-Andrés and V. Veryazov
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