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A long-range-corrected time-dependent density functional theory

✍ Scribed by Tawada, Yoshihiro; Tsuneda, Takao; Yanagisawa, Susumu; Yanai, Takeshi; Hirao, Kimihiko

Book ID: 120563282
Publisher: American Institute of Physics
Year: 2004
Tongue: English
Weight: 443 KB
Volume: 120
Category: Article
ISSN: 0021-9606
DOI: 10.1063/1.1688752

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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