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density functional theory
- functions and functionals (101, 2)
- the Schrödinger equation – 1 (128, 2)
- the Schrödinger equation – 2 (90, 2)
- the Born-Oppenheimer approximation (85, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (80, 3)
- Kohn-Sham equations (69, 2)
- XC-functional (70, 0)
- correlation (67, 0)
- Hartree-Fock versus DFT (72, 1)
- exit (w3) (2, 5)
- 766
- 787
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1 week ago
DFT_user
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (205, 69)
- the ab initio way (186, 29)
- solids as quantum systems (282, 49)
- so what’s the problem? (147, 7)
- Advantages question 1 (166, 7)
- advantages question 2 (116, 1)
- advantages question 3 (120, 1)
- theory versus computation (124, 5)
- hardware 1 (102, 3)
- hardware 2 (40, 4)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (8, 0)
- 1,499
- 1,675
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1 day, 10 hours ago
arjp2298
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