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density functional theory
- functions and functionals (99, 2)
- the Schrödinger equation – 1 (126, 2)
- the Schrödinger equation – 2 (88, 2)
- the Born-Oppenheimer approximation (84, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (78, 3)
- Kohn-Sham equations (67, 2)
- XC-functional (70, 0)
- correlation (66, 0)
- Hartree-Fock versus DFT (70, 1)
- exit (w3) (2, 5)
- 752
- 773
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2 days, 3 hours ago
adbel
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (200, 68)
- the ab initio way (181, 29)
- solids as quantum systems (276, 48)
- so what’s the problem? (145, 7)
- Advantages question 1 (165, 7)
- advantages question 2 (115, 1)
- advantages question 3 (119, 1)
- theory versus computation (123, 5)
- hardware 1 (101, 3)
- hardware 2 (40, 4)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,475
- 1,649
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21 hours, 54 minutes ago
iliyas
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