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density functional theory
- functions and functionals (137, 2)
- the Schrödinger equation – 1 (166, 2)
- the Schrödinger equation – 2 (119, 2)
- the Born-Oppenheimer approximation (115, 2)
- exit (w2) (3, 3)
- second Hohenberg-Kohn theorem (104, 3)
- Kohn-Sham equations (92, 3)
- XC-functional (94, 0)
- correlation (94, 0)
- Hartree-Fock versus DFT (98, 1)
- exit (w3) (2, 5)
- 1,024
- 1,047
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3 weeks, 4 days ago
yluo
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (258, 24)
- the ab initio way (243, 31)
- solids as quantum systems (357, 55)
- so what’s the problem? (187, 8)
- Advantages question 1 (214, 8)
- advantages question 2 (151, 3)
- advantages question 3 (157, 1)
- theory versus computation (162, 5)
- hardware 1 (135, 3)
- hardware 2 (54, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (8, 1)
- the ab initio way (digging deeper) – 2 (13, 0)
- 1,939
- 2,083
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1 day, 23 hours ago
Enzoo
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