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density functional theory
- functions and functionals (98, 2)
- the Schrödinger equation – 1 (122, 2)
- the Schrödinger equation – 2 (85, 2)
- the Born-Oppenheimer approximation (83, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (76, 3)
- Kohn-Sham equations (65, 2)
- XC-functional (69, 0)
- correlation (65, 0)
- Hartree-Fock versus DFT (68, 1)
- exit (w3) (2, 5)
- 735
- 756
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1 week ago
Gregb26
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (196, 66)
- the ab initio way (175, 29)
- solids as quantum systems (267, 48)
- so what’s the problem? (137, 7)
- Advantages question 1 (157, 4)
- advantages question 2 (108, 1)
- advantages question 3 (113, 0)
- theory versus computation (117, 5)
- hardware 1 (99, 3)
- hardware 2 (39, 3)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,418
- 1,585
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1 day, 12 hours ago
crisantec
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