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density functional theory
- functions and functionals (36, 0)
- the Schrödinger equation – 1 (46, 1)
- the Schrödinger equation – 2 (32, 1)
- the Born-Oppenheimer approximation (33, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (27, 1)
- Kohn-Sham equations (23, 1)
- XC-functional (24, 0)
- correlation (21, 0)
- Hartree-Fock versus DFT (21, 0)
- exit (w3) (2, 5)
- 267
- 280
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1 day, 23 hours ago
ARVIND RAJBHAR
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (98, 20)
- the ab initio way (81, 20)
- solids as quantum systems (125, 33)
- so what’s the problem? (72, 6)
- Advantages question 1 (82, 3)
- advantages question 2 (57, 0)
- advantages question 3 (57, 0)
- theory versus computation (59, 4)
- hardware 1 (45, 2)
- hardware 2 (19, 2)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 0)
- the ab initio way (digging deeper) – 2 (4, 0)
- 702
- 792
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16 seconds ago
Reggie
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