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density functional theory
- functions and functionals (136, 2)
- the Schrödinger equation – 1 (165, 2)
- the Schrödinger equation – 2 (119, 2)
- the Born-Oppenheimer approximation (114, 2)
- exit (w2) (2, 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)
- 1,020
- 1,043
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2 weeks, 5 days ago
ELLROR001
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (251, 23)
- the ab initio way (235, 31)
- solids as quantum systems (352, 54)
- so what’s the problem? (183, 7)
- Advantages question 1 (208, 7)
- advantages question 2 (148, 3)
- advantages question 3 (153, 1)
- theory versus computation (158, 5)
- hardware 1 (131, 3)
- hardware 2 (54, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (7, 1)
- the ab initio way (digging deeper) – 2 (12, 0)
- 1,892
- 2,032
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1 day, 11 hours ago
Anteneh
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