Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers-Reference-Cited by-同舟云学术

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers

Published:2009-12-03 Issue:1 Volume:6 Page:81-90
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Marom Noa¹,Tkatchenko Alexandre¹,Scheffler Matthias¹,Kronik Leeor¹

Affiliation:

1. Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel, and Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4−6, 14195 Berlin, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900410j

Reference103 articles.

1. Can (semi)local density functional theory account for the London dispersion forces?

2. A density-functional study of van der Waals forces: rare gas diatomics

3. The exchange-correlation energy of a metallic surface

4. Exchange-correlation energy of a metallic surface: Wave-vector analysis

5. Total Energy Method from Many-Body Formulation

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