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Current Topics in Computational Chemistry
University of Helsinki, Spring 2003
| Level: |
Advanced undergraduate and postgraduate |
| Language: |
English |
| Literature: |
Lecture notes and additional handouts |
| Credits: |
3 |
| Contact: |
Dage Sundholm,
sundholm@chem.helsinki.fi, 09-191 50176 |
Brief Outline
Current topics and methods in computational quantum chemistry were discussed.
The course was made up of lectures given by the attendees.
Inspiring excercises were also included!
List of Lecture(r)s
| Date |
Lecturer |
Title |
| 11.3 |
Dage Sundholm |
Electronic Hamiltonian in finite basis sets. (PDF) |
| 18.3 |
Stefan Taubert |
The Hartree–Fock method.
(PDF 1, PDF 2, Exercise) |
| 25.3 |
Pekka Manninen |
MCSCF |
| 1.4 |
Peeter Burk |
Proton affinities of cubane and cubylamine: computational explanation of the surprising experimental results |
| 15.4 |
Jaak Suurpere |
Møller–Plesset perturbation theory approaches |
| 22.4 |
Tuomas Torsti |
Real-space electronic structure calculations: current status of the MIKA-project |
| 29.4 |
Raphael Berger |
CASPT2/MRMP |
| 3.6 |
Michael Patzschke |
Quasirelativistic Hamiltonians |
| 9.6 |
Mikael Johansson |
On the reality of orbitals |
| 17.6 |
Jonas Jusélius |
Response theory at the SCF level |
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