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density functional theory
- functions and functionals (125, 2)
- the Schrödinger equation – 1 (153, 2)
- the Schrödinger equation – 2 (112, 2)
- the Born-Oppenheimer approximation (105, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (99, 3)
- Kohn-Sham equations (87, 2)
- XC-functional (89, 0)
- correlation (88, 0)
- Hartree-Fock versus DFT (93, 1)
- exit (w3) (2, 5)
- 955
- 976
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14 hours, 29 minutes ago
sarae_02
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (225, 20)
- the ab initio way (214, 30)
- solids as quantum systems (317, 54)
- so what’s the problem? (169, 7)
- Advantages question 1 (192, 7)
- advantages question 2 (134, 2)
- advantages question 3 (138, 1)
- theory versus computation (146, 5)
- hardware 1 (120, 3)
- hardware 2 (48, 4)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (5, 1)
- the ab initio way (digging deeper) – 2 (10, 0)
- 1,718
- 1,852
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2 days, 13 hours ago
Francesco Sarrica
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