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density functional theory
- functions and functionals (89, 1)
- the Schrödinger equation – 1 (112, 1)
- the Schrödinger equation – 2 (79, 2)
- the Born-Oppenheimer approximation (77, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (70, 2)
- Kohn-Sham equations (60, 2)
- XC-functional (65, 0)
- correlation (60, 0)
- Hartree-Fock versus DFT (63, 1)
- exit (w3) (2, 5)
- 679
- 697
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6 days, 4 hours ago
Yan_DFT
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (177, 53)
- the ab initio way (161, 25)
- solids as quantum systems (233, 46)
- so what’s the problem? (127, 7)
- Advantages question 1 (143, 3)
- advantages question 2 (97, 0)
- advantages question 3 (101, 0)
- theory versus computation (107, 5)
- hardware 1 (92, 3)
- hardware 2 (37, 3)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,285
- 1,431
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9 hours, 1 minute ago
Alex_Relaxe
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