Abstracts and Talk Materials:May 04-08, 2009 Roland Lindh (Lund University)
http://www.teokem.lu.se/~roland/roland.html Presentation of the workshop
May 05, 2009 8:45 am - 9:00 am
Roland Lindh (Lund University)
http://www.teokem.lu.se/~roland/roland.html Lecture 2: Basis sets, CD/RI
May 05, 2009 10:30 am - 11:15 am
Roland Lindh (Lund University)
http://www.teokem.lu.se/~roland/roland.html Lecture 4: Multiconfigurational methods: CASSCF/CASPT2
May 05, 2009 3:30 pm - 4:30 pm
Roland Lindh (Lund University)
http://www.teokem.lu.se/~roland/roland.html Lecture 5: Geometry optimizations with and without constraints
May 06, 2009 9:00 am - 10:00 am
Roland Lindh (Lund University)
http://www.teokem.lu.se/~roland/roland.html Lecture 9: QM/MM in Molcas
May 08, 2009 9:00 am - 9:30 am
Roland Lindh (Lund University)
http://www.teokem.lu.se/~roland/roland.html Conclusions
May 08, 2009 2:00 pm - 2:30 pm
Per-Åke Malmqvist (Lund University)
Valera Veryazov (Lund University)
http://www.teokem.lu.se/~valera/ Lecture 3: Use of symmetry
HF, DFT
May 05, 2009 11:15 am - 12:00 pm
Per-Åke Malmqvist (Lund University) Lecture 6: Relativistic calculations
May 06, 2009 2:00 pm - 3:00 pm
Fadil Santosa (University of Minnesota)
http://www.math.umn.edu/~santosa/ Welcome to the IMA
May 05, 2009 8:30 am - 8:45 am
Luis Serrano-Andrés (University of Valencia)
http://www.uv.es/serrano Lecture 8: Excited states
May 07, 2009 9:00 am - 10:00 am
Luis Serrano-Andrés (University of Valencia)
http://www.uv.es/serrano Lecture 10: Solvent models
May 08, 2009 9:30 am - 10:00 am
Luis Serrano-Andrés (University of Valencia)
http://www.uv.es/serrano Lecture 11: Handling problems in MOLCAS (convergence, orbital selection, etc.)
May 08, 2009 11:30 am - 12:30 pm
Valera Veryazov (Lund University)
http://www.teokem.lu.se/~valera/ Lecture 1: Overview of MOLCAS
May 05, 2009 9:00 am - 10:00 am
Valera Veryazov (Lund University)
http://www.teokem.lu.se/~valera/ Lecture 7: MOLCAS for advanced users
May 06, 2009 5:00 pm - 5:30 pm
|
