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Updated: Jun 17, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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评估基于域的局部对自然轨道 (DLPNO) 对大规模超分子复合体中非共价相互作用的近似

Montgomery Gray1, John M Herbert1

  • 1Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio 43210, USA.

The Journal of chemical physics
|August 6, 2024
PubMed
概括

基于域的局部对自然轨道 (DLPNO) 的近似.

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Crystal Field Theory
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CFT focuses on...
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