Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers
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- Noa Marom
- 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
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- Alexandre Tkatchenko
- 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
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- Matthias Scheffler
- 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
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- Leeor Kronik
- 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
書誌事項
- 公開日
- 2009-12-03
- DOI
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- 10.1021/ct900410j
- 公開者
- American Chemical Society (ACS)
この論文をさがす
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 6 (1), 81-90, 2009-12-03
American Chemical Society (ACS)