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Long-range density-matrix-functional theory: Application to a modified homogeneous electron gas

โœ Scribed by Pernal, Katarzyna

Book ID
118172751
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
278 KB
Volume
81
Category
Article
ISSN
1050-2947

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## Abstract Ewald summation is used to apply semiempirical longโ€range dispersion corrections (Grimme, J Comput Chem 2006, 27, 1787; 2004, 25, 1463) to periodic systems in density functional theory. Using the parameters determined before for molecules and the Perdewโ€Burkeโ€Ernzerhof functional, struc