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density functional theory
- functions and functionals (90, 1)
- the Schrödinger equation – 1 (114, 1)
- the Schrödinger equation – 2 (81, 2)
- the Born-Oppenheimer approximation (78, 1)
- exit (w2) (2, 3)
- second Hohenberg-Kohn theorem (70, 2)
- Kohn-Sham equations (60, 2)
- XC-functional (65, 0)
- correlation (60, 0)
- Hartree-Fock versus DFT (63, 1)
- exit (w3) (2, 5)
- 685
- 703
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2 weeks ago
oscar93
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (178, 54)
- the ab initio way (163, 25)
- solids as quantum systems (238, 47)
- so what’s the problem? (128, 7)
- Advantages question 1 (145, 4)
- advantages question 2 (99, 1)
- advantages question 3 (103, 0)
- theory versus computation (108, 5)
- hardware 1 (92, 3)
- hardware 2 (37, 3)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (3, 1)
- the ab initio way (digging deeper) – 2 (7, 0)
- 1,301
- 1,451
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1 day, 18 hours ago
mccolin
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