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Systematic optimization of long-range corrected hybrid density functionals

✍ Scribed by Chai, Jeng-Da; Head-Gordon, Martin

Book ID
118059493
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
663 KB
Volume
128
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

Exchange coupling constants using densit
Exchange coupling constants using density functional theory: Long-range corrected functionals
✍ Eliseo Ruiz πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 166 KB

## Abstract The presence of the self‐interaction error in common exchange correlation functionals is one of the main drawbacks of calculations using methods based on Density Functional Theory. The recently developed asymptotically corrected functionals are an alternative way to solve the erroneous