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Predicting Exchange Coupling Constants in Frustrated Molecular Magnets Using Density Functional Theory

✍ Scribed by Rudra, Indranil; Wu, Qin; Van Voorhis, Troy

Book ID
121836231
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
274 KB
Volume
46
Category
Article
ISSN
0020-1669

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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