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Decks in this class (5)
Lecture 1: Intro to DFT
When a system is an of observable...,
The electronic schrodinger equati...,
How is the ese approximated furth...
16
cards
Lecture 2 - Current developments in DFT
Exc is and needs to be 1,
What is the basic assumption of l...,
How does an ensemble generalized ...
32
cards
Lecture 3: DFT for solid condensed matter and surfaces
What are pbc s and why are they e...,
Give some examples of systems tha...,
How is periodicity described in d...
28
cards
Lecture 4: Ab-initio atomistic thermodynamics and computational catalysis and electrochemistry.
Name four properties that can be ...,
Imp what is the problem with how ...,
What are some examples of macrosc...
22
cards
Key notes
How is the ese approximated furth...,
Imp outline briefly how the ese i...,
Imp why might it be more appropri...
25
cards
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CH413:Advanced Computational Chemistry 2
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