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Quantum Chemistry II (MCh WP4)

Advanced Quantum Chemistry Methods
SoSe 2020
 

Lecture:  

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.

   

 Downloads

 

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

 

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