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arxiv: 1701.04100 · v2 · pith:TIQTUR44new · submitted 2017-01-15 · ⚛️ physics.chem-ph · quant-ph

Hierarchy of equations to calculate the linear spectra of molecular aggregates - Time-dependent and frequency domain formulation

classification ⚛️ physics.chem-ph quant-ph
keywords domainhierarchyaggregatescalculateequationsfrequencylinearmolecular
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In a recent publication [J. Chem. Phys. 142, 034115 (2015)] we have derived a hierarchy of coupled differential equations in time domain to calculate the linear optical properties of molecular aggregates. Here we provide details about issues concerning the numerical implementation. In addition we present the corresponding hierarchy in frequency domain.

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