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Searching Results for SW5.4-8.09:
Welcome to the IMA, Fadil Santosa  (IMA)
Presentation of the workshop, Roland Lindh  (Lund University)
Lecture 1: Overview of MOLCAS, Valera Veryazov  (Lund University)
Lecture 2: Basis sets, CD/RI, Roland Lindh  (Lund University)
Lecture 3: Use of symmetry HF, DFT, Valera Veryazov  (Lund University), Per-Åke Malmqvist  (Lund University)
Lecture 4: Multiconfigurational methods: CASSCF/CASPT2, Roland Lindh  (Lund University)
Lecture 5: Geometry optimizations with and without constraints, Roland Lindh  (Lund University)
Lecture 7: MOLCAS for advanced users, Valera Veryazov  (Lund University)
Lecture 8: Excited states, Luis Serrano-Andrés  (University of Valencia)
Lecture 6: Relativistic calculations, Per-Åke Malmqvist  (Lund University)
Lecture 9: QM/MM in Molcas, Roland Lindh  (Lund University)
Lecture 10: Solvent models, Luis Serrano-Andrés  (University of Valencia)
Lecture 11: Handling problems in MOLCAS (convergence, orbital selection, etc.), Luis Serrano-Andrés  (University of Valencia)
Conclusions, Roland Lindh  (Lund University)
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