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density functional theory
- functions and functionals (134, 2)
- the Schrödinger equation – 1 (162, 2)
- the Schrödinger equation – 2 (118, 2)
- the Born-Oppenheimer approximation (113, 2)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (104, 3)
- Kohn-Sham equations (91, 3)
- XC-functional (93, 0)
- correlation (93, 0)
- Hartree-Fock versus DFT (97, 1)
- exit (w3) (2, 5)
- 1,009
- 1,032
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1 day, 4 hours ago
jgd15
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (244, 23)
- the ab initio way (228, 31)
- solids as quantum systems (345, 54)
- so what’s the problem? (181, 7)
- Advantages question 1 (206, 7)
- advantages question 2 (146, 2)
- advantages question 3 (151, 1)
- theory versus computation (156, 5)
- hardware 1 (128, 3)
- hardware 2 (53, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (6, 1)
- the ab initio way (digging deeper) – 2 (11, 0)
- 1,855
- 1,994
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2 days, 3 hours ago
jgd15
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