Data for: Finite-temperature, anharmonicity, and Duschinsky effects on the two-dimensional electronic spectra from ab initio thermo-field Gaussian wavepacket dynamics
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https://zenodo.org/record/4552857
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资源简介：
Data for publication: T. Begusic, J. Vanicek, Finite-temperature, anharmonicity, and Duschinsky effects on the two-dimensional electronic spectra from ab initio thermo-field Gaussian wavepacket dynamics, arXiv:2101.12251 (2021).
Contains simulated linear and two-dimensional spectra of the S1 - S0 electronic transition of azulene, excited-state ab initio trajectory at the ADC2/cc-pVDZ level of theory, and other supporting data related to the abovementioned publication.
创建时间：
2021-02-20
