Relationships Between Orbital Energies, Optical and...

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Relationships Between Orbital Energies, Optical and Fundamental Gaps, and Exciton Shifts in Approximate Density Functional Theory and Quasiparticle Theory

Shu, Yinan, Truhlar, Donald G.
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00320
Date:
May, 2020
File:
PDF, 1.08 MB
2020
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