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clusters from density-functional theory

✍ Scribed by Wang, Jinlan; Wang, Guanghou; Zhao, Jijun


Book ID
120280924
Publisher
The American Physical Society
Year
2001
Tongue
English
Weight
238 KB
Volume
64
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES


Density functional theory and molecular
✍ Pavel Hobza; JiΕ™Γ­ Ε‘poner; TomΓ‘Ε‘ Reschel πŸ“‚ Article πŸ“… 1995 πŸ› John Wiley and Sons 🌐 English βš– 774 KB

Density functional theory (DFT) methods, including nonlocal density gradient terms in the exchange and correlation energy functionals, were applied to various types of molecular clusters: H-bonded, ionic, electrostatic, and London. Reliable results on the structure and stabilization energy were obta