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분자 응집체 및 고체의 광학 흡수 스펙트럼 및 광전자 적 특성을 계산하기위한 Excitonic Hamiltonians
Bölümler
- 00:04Introduction
- 00:57Multi-Molecular System Splitting and Generating Ground State Point Charges
- 02:44Excitation Energy and Transition Density Calculation
- 03:52Excitation Energy Extraction, Excitonic Coupling Calculation, and Excitonic Hamiltonian Setup
- 06:28Results: Representative Structure and Calculated Spectrum for an Aggregate of Six YLD 124 Molecules
- 07:20Conclusion
Etiketler
Excitonic HamiltoniansOptical Absorption SpectraOptoelectronic PropertiesMolecular AggregatesMolecular SolidsQuantum Chemical CalculationsPhotovoltaic CellsOptical SwitchesFiber Optic CommunicationsGetMonomers.pyChargeOptions.txtGaussian Density Functional TheoryLong Range Corrected Density FunctionalGetCHelpG.py
