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density functional theory
- functions and functionals (142, 2)
- the Schrödinger equation – 1 (171, 2)
- the Schrödinger equation – 2 (123, 2)
- the Born-Oppenheimer approximation (118, 2)
- exit (w2) (3, 3)
- second Hohenberg-Kohn theorem (108, 3)
- Kohn-Sham equations (95, 3)
- XC-functional (97, 0)
- correlation (97, 0)
- Hartree-Fock versus DFT (101, 1)
- exit (w3) (2, 5)
- 1,057
- 1,080
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47 minutes ago
meesha
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setting the stage
- exit 1 (0, 0)
- the creation of materials from thought (267, 25)
- the ab initio way (252, 34)
- solids as quantum systems (370, 55)
- so what’s the problem? (191, 8)
- Advantages question 1 (220, 8)
- advantages question 2 (154, 3)
- advantages question 3 (160, 1)
- theory versus computation (166, 6)
- hardware 1 (140, 3)
- hardware 2 (54, 5)
- exit (w1) (0, 0)
- the ab initio way (digging deeper) – 1 (8, 1)
- the ab initio way (digging deeper) – 2 (13, 0)
- 1,995
- 2,144
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2 days, 1 hour ago
Hussain5125
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