Skip to content
-
-
density functional theory
- functions and functionals (142, 2)
- the Schrödinger equation – 1 (173, 2)
- the Schrödinger equation – 2 (124, 2)
- the Born-Oppenheimer approximation (119, 2)
- exit (w2) (3, 3)
- second Hohenberg-Kohn theorem (108, 3)
- Kohn-Sham equations (96, 3)
- XC-functional (98, 0)
- correlation (98, 0)
- Hartree-Fock versus DFT (102, 1)
- exit (w3) (2, 5)
- 1,065
- 1,088
-
5 days, 16 hours ago
Amy
-
setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (273, 25)
- the ab initio way (256, 34)
- solids as quantum systems (381, 55)
- so what’s the problem? (194, 8)
- Advantages question 1 (223, 8)
- advantages question 2 (156, 3)
- advantages question 3 (161, 1)
- theory versus computation (167, 6)
- hardware 1 (143, 3)
- hardware 2 (55, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (9, 1)
- the ab initio way (digging deeper) – 2 (13, 0)
- 2,031
- 2,180
-
19 hours, 37 minutes ago
Thomas A. A.
Scroll to Top
