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density functional theory
- functions and functionals (96, 2)
- the Schrödinger equation – 1 (120, 2)
- the Schrödinger equation – 2 (84, 2)
- the Born-Oppenheimer approximation (81, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (74, 3)
- Kohn-Sham equations (64, 2)
- XC-functional (68, 0)
- correlation (64, 0)
- Hartree-Fock versus DFT (67, 1)
- exit (w3) (2, 5)
- 722
- 743
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2 weeks, 6 days ago
raza12
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (191, 61)
- the ab initio way (172, 29)
- solids as quantum systems (259, 48)
- so what’s the problem? (135, 7)
- Advantages question 1 (152, 4)
- advantages question 2 (106, 1)
- advantages question 3 (111, 0)
- theory versus computation (116, 5)
- hardware 1 (97, 3)
- hardware 2 (38, 3)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,387
- 1,549
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2 days, 4 hours ago
tnk
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