Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations
Author:
Affiliation:
1. Thomas Young Centre, Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ, United Kingdom
2. Rutherford Appleton Laboratory, STFC, Harwell Oxford, Didcot OX11 0QX, United Kingdom
Funder
Engineering and Physical Sciences Research Council (EPSRC)
Science and Technology Facilities Council (STFC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4921822
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1. Progress and Challenges in the Calculation of Electronic Excited States
2. Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene
3. Exciton States in Ionic Crystals
4. Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture
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