Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue

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Abou Taka, Ali, Lu, Shao-Yu, Gowland, Duncan, Zuehlsdorff, Tim J., Corzo, Hector H., Pribram-Jones, Aurora, Shi, Liang, Hratchian, Hrant P., Isborn, Christine M.. 2022-04-26. Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue. https://doi.org/10.1021/acs.jctc.1c01127

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