Charge-Transfer Excitations: A Challenge for Time-Dependent Density Functional Theory That Has Been Met-Reference-Cited by-同舟云学术

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Charge-Transfer Excitations: A Challenge for Time-Dependent Density Functional Theory That Has Been Met

Published:2017-05-26 Issue:16 Volume:7 Page:1700440
ISSN:1614-6832
Container-title:Advanced Energy Materials
language:en
Short-container-title:Adv. Energy Mater.

Author:

Kümmel Stephan¹

Affiliation:

1. Theoretical Physics IV; Universität Bayreuth; D-95440 Bayreuth Germany

Funder

German-Israeli Foundation for Scientific Research and Development

Bayerisches Staatsministerium für Wissenschaft, Forschung und Kunst

Publisher

Wiley

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment

Reference28 articles.

1. Molecular Understanding of Organic Solar Cells: The Challenges

2. Relationship between long-range charge-transfer excitation energy error and integer discontinuity in Kohn–Sham theory

3. Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

4. Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals

5. Long-range–short-range separation of the electron-electron interaction in density-functional theory

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