Examples are given showing that present-day density functional theory ลฝ . DFT functionals give useful results for neutral closed-shell molecules of low atomic number. For high Z, high charge, or systems with large configuration mixing, present functionals are less useful.
โฆ LIBER โฆ
Just how good is DFT?
โ Scribed by Abhik Ghosh
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 239 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1432-1327
No coin nor oath required. For personal study only.
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