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density functional theory
- functions and functionals (94, 2)
- the Schrödinger equation – 1 (118, 2)
- the Schrödinger equation – 2 (83, 2)
- the Born-Oppenheimer approximation (80, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (73, 3)
- Kohn-Sham equations (63, 2)
- XC-functional (67, 0)
- correlation (63, 0)
- Hartree-Fock versus DFT (66, 1)
- exit (w3) (2, 5)
- 711
- 732
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3 weeks, 5 days ago
m7mdgasim
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (188, 60)
- the ab initio way (169, 29)
- solids as quantum systems (250, 48)
- so what’s the problem? (134, 7)
- Advantages question 1 (150, 4)
- advantages question 2 (104, 1)
- advantages question 3 (109, 0)
- theory versus computation (114, 5)
- hardware 1 (96, 3)
- hardware 2 (37, 3)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,361
- 1,522
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2 days, 12 hours ago
acharyashakti@gmail.com
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