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density functional theory
- functions and functionals (40, 0)
- the Schrödinger equation – 1 (50, 1)
- the Schrödinger equation – 2 (35, 1)
- the Born-Oppenheimer approximation (36, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (27, 1)
- Kohn-Sham equations (23, 1)
- XC-functional (24, 0)
- correlation (21, 0)
- Hartree-Fock versus DFT (21, 0)
- exit (w3) (2, 5)
- 281
- 294
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10 hours, 9 minutes ago
ThibautDhomme
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (101, 20)
- the ab initio way (84, 20)
- solids as quantum systems (129, 33)
- so what’s the problem? (75, 6)
- Advantages question 1 (86, 3)
- advantages question 2 (60, 0)
- advantages question 3 (60, 0)
- theory versus computation (63, 4)
- hardware 1 (47, 2)
- hardware 2 (21, 2)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 0)
- the ab initio way (digging deeper) – 2 (4, 0)
- 733
- 823
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4 hours, 38 minutes ago
monicamalik
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