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density functional theory
- functions and functionals (135, 2)
- the Schrödinger equation – 1 (163, 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 (92, 3)
- XC-functional (94, 0)
- correlation (94, 0)
- Hartree-Fock versus DFT (98, 1)
- exit (w3) (2, 5)
- 1,015
- 1,038
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1 month ago
Sukumaran Pillai Ravi
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (248, 23)
- the ab initio way (234, 31)
- solids as quantum systems (352, 54)
- so what’s the problem? (182, 7)
- Advantages question 1 (207, 7)
- advantages question 2 (147, 2)
- advantages question 3 (152, 1)
- theory versus computation (157, 5)
- hardware 1 (130, 3)
- hardware 2 (53, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (7, 1)
- the ab initio way (digging deeper) – 2 (12, 0)
- 1,881
- 2,020
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20 hours, 24 minutes ago
tojomc
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