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

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Citation

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.

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

Abstract

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.