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density functional theory
- functions and functionals (132, 2)
- the Schrödinger equation – 1 (161, 2)
- the Schrödinger equation – 2 (116, 2)
- the Born-Oppenheimer approximation (112, 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 (96, 1)
- exit (w3) (2, 5)
- 1,002
- 1,025
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1 day, 12 hours ago
monish
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (234, 20)
- the ab initio way (219, 31)
- solids as quantum systems (332, 54)
- so what’s the problem? (177, 7)
- Advantages question 1 (202, 7)
- advantages question 2 (142, 2)
- advantages question 3 (147, 1)
- theory versus computation (153, 5)
- hardware 1 (127, 3)
- hardware 2 (52, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (6, 1)
- the ab initio way (digging deeper) – 2 (11, 0)
- 1,802
- 1,938
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1 day, 3 hours ago
thomask0012
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