Density functional theory Flashcards
1
Q
Hohenberg and Kohn theorem (+ proof) and consequences
A
161
2
Q
Kohn-Sham eq.
A
166
3
Q
Approximations for the Exchange-Correlation potential
A
171
4
Q
How to resolve computationally KS equations
A
173
5
Q
Permorfance of DFT
A
177
6
Q
Why derivatives aren’t computationally cheap
A
181
7
Q
Linear response theory
A
183
8
Q
Sternheimer equation
A
186
9
Q
Charge unbalance in LRT (both real and Fourier space)
A
188
10
Q
Charge unbalance in Jellium
A
192
11
Q
Time dependent DFT
A
199
12
Q
Adiabatic switching on of the perturbation
A
205
13
Q
Monochromatic perturbation
A
206
14
Q
Electron Energy Loss Spectroscopy
A
211
