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

Zhang, Pan Pan; Li, Zeng-Zhao; Eisfeld, Alexander

doi:10.1002/qua.25386

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

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Zhang, Pan Pan
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Li, Zeng-Zhao
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Eisfeld, Alexander
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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http://onlinelibrary.wiley.com/doi/10.1002/qua.25386/full
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Zitation

Zhang, P. P., Li, Z.-Z., & Eisfeld, A. (2017). Hierarchy of equations to calculate the linear spectra of molecular aggregates: Time-dependent and frequency domain formulation. International Journal of Quantum Chemistry, 117(14): e25386. doi:10.1002/qua.25386.

Zitierlink: https://hdl.handle.net/11858/00-001M-0000-002D-C6C2-B

Zusammenfassung

In a recent publication (Ritschel et al., J. Chem. Phys. 2015, 142, 034115) 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.