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Density-functional theory calculations with correct long-range potentials

✍ Scribed by Wu, Qin; Ayers, Paul W.; Yang, Weitao


Book ID
126159663
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
312 KB
Volume
119
Category
Article
ISSN
0021-9606

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## 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