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Quantum Chemistry II (MCh WP4)

Advanced Quantum Chemistry Methods
SoSe 2020


The lectures are provided as videos for download and should be watched by the students themselves before the following Tuesday. There will be a weekly discussion of the respective lecture via Zoom on Tuesday from 13:15-14:15.




Programming part (6 weeks):

week 1: introduction to linux and fortran

week 2: I/O-basics, program structuring, RHF

week 3: RHF, Mulliken-analysis

week 4: electron density, gradient, optimization

weeks 5+6: UHF, spinconamination, MP2


Application part (5 weeks, 11 tasks)


To be announced:  registration in Basis for the oral exam