All-electronGWmethods implemented in molecular orbital space: Ionization energy and electron affinity of conjugated molecules
Author:
Publisher
American Physical Society (APS)
Subject
Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.84.205415/fulltext
Reference26 articles.
1. Self-Interaction Errors in Density-Functional Calculations of Electronic Transport
2. Probing electronic excitations in molecular conduction
3. Role of the exchange-correlation potential in ab initio electron transport calculations
4. Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction
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