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density functional theory
- functions and functionals (33, 0)
- the Schrödinger equation – 1 (38, 1)
- the Schrödinger equation – 2 (28, 1)
- the Born-Oppenheimer approximation (29, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (24, 1)
- Kohn-Sham equations (21, 1)
- XC-functional (21, 0)
- correlation (20, 0)
- Hartree-Fock versus DFT (20, 0)
- exit (w3) (2, 5)
- 238
- 251
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1 week, 4 days ago
jmelendez68
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (49, 7)
- the ab initio way (47, 15)
- solids as quantum systems (70, 25)
- so what’s the problem? (43, 2)
- Advantages question 1 (40, 1)
- advantages question 2 (37, 0)
- advantages question 3 (34, 0)
- theory versus computation (36, 2)
- hardware 1 (25, 0)
- hardware 2 (12, 1)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (2, 0)
- the ab initio way (digging deeper) – 2 (2, 0)
- 397
- 450
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3 days, 12 hours ago
nkr
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