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Abstracts and Talk Materials
MOLCAS
May 4 - 8, 2009


Roland Lindh (Uppsala University)
http://www.pac.uu.se/Kvantkemi/People/Researchers/Roland_Lindh/

Conclusions
May 8, 2009


Roland Lindh (Uppsala University)
http://www.pac.uu.se/Kvantkemi/People/Researchers/Roland_Lindh/

Presentation of the workshop
May 5, 2009


Roland Lindh (Uppsala University)
http://www.pac.uu.se/Kvantkemi/People/Researchers/Roland_Lindh/

Lecture 2: Basis sets, CD/RI
May 5, 2009


Roland Lindh (Uppsala University)
http://www.pac.uu.se/Kvantkemi/People/Researchers/Roland_Lindh/

Lecture 4: Multiconfigurational methods: CASSCF/CASPT2
May 5, 2009


Roland Lindh (Uppsala University)
http://www.pac.uu.se/Kvantkemi/People/Researchers/Roland_Lindh/

Lecture 5: Geometry optimizations with and without constraints
May 6, 2009


Roland Lindh (Uppsala University)
http://www.pac.uu.se/Kvantkemi/People/Researchers/Roland_Lindh/

Lecture 9: QM/MM in Molcas
May 8, 2009


Per-Åke Malmqvist (Lund University)
Valera Veryazov (Lund University)
http://www.teokem.lu.se/~valera/

Lecture 3: Use of symmetry
HF, DFT

May 5, 2009


Per-Åke Malmqvist (Lund University)

Lecture 6: Relativistic calculations
May 6, 2009


Fadil Santosa (University of Minnesota, Twin Cities)
http://www.math.umn.edu/~santosa/

Welcome to the IMA
May 5, 2009


Luis Serrano-Andrés (University of Michigan)
http://www.uv.es/serrano

Lecture 10: Solvent models
May 8, 2009


Luis Serrano-Andrés (University of Michigan)
http://www.uv.es/serrano

Lecture 11: Handling problems in MOLCAS (convergence, orbital selection, etc.)
May 8, 2009


Luis Serrano-Andrés (University of Michigan)
http://www.uv.es/serrano

Lecture 8: Excited states
May 7, 2009


Valera Veryazov (Lund University)
http://www.teokem.lu.se/~valera/

Lecture 1: Overview of MOLCAS
May 5, 2009


Valera Veryazov (Lund University)
http://www.teokem.lu.se/~valera/

Lecture 7: MOLCAS for advanced users
May 6, 2009


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