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density functional theory
- functions and functionals (99, 2)
- the Schrödinger equation – 1 (123, 2)
- the Schrödinger equation – 2 (86, 2)
- the Born-Oppenheimer approximation (84, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (77, 3)
- Kohn-Sham equations (67, 2)
- XC-functional (70, 0)
- correlation (66, 0)
- Hartree-Fock versus DFT (70, 1)
- exit (w3) (2, 5)
- 746
- 767
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6 days, 17 hours ago
sharif.hasan
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (197, 67)
- the ab initio way (177, 29)
- solids as quantum systems (271, 48)
- so what’s the problem? (140, 7)
- Advantages question 1 (159, 4)
- advantages question 2 (110, 1)
- advantages question 3 (115, 1)
- theory versus computation (120, 5)
- hardware 1 (100, 3)
- hardware 2 (40, 4)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,439
- 1,609
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3 days, 6 hours ago
Shahil
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