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density functional theory
- functions and functionals (57, 0)
- the Schrödinger equation – 1 (75, 1)
- the Schrödinger equation – 2 (52, 1)
- the Born-Oppenheimer approximation (52, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (48, 2)
- Kohn-Sham equations (39, 2)
- XC-functional (43, 0)
- correlation (39, 0)
- Hartree-Fock versus DFT (41, 1)
- exit (w3) (2, 5)
- 450
- 466
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1 week, 4 days ago
gayathriv
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (119, 37)
- the ab initio way (101, 25)
- solids as quantum systems (156, 34)
- so what’s the problem? (84, 6)
- Advantages question 1 (102, 3)
- advantages question 2 (68, 0)
- advantages question 3 (70, 0)
- theory versus computation (72, 5)
- hardware 1 (60, 2)
- hardware 2 (27, 2)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 0)
- the ab initio way (digging deeper) – 2 (5, 0)
- 867
- 981
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1 day ago
Nathaniel
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