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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.
Ecology, Chemical Sciences not elsewhere classified, Science Policy, spectra, wavepacket dynamics Data, anharmonicity, Information Systems not elsewhere classified, Biophysics, Duschinsky effects, Plant Biology, Marine Biology, Biochemistry, Mathematical Sciences not elsewhere classified, Inorganic Chemistry, Finite-temperature, publication, data, ADC, ab initio thermo-field, Physical Sciences not elsewhere classified, Biological Sciences not elsewhere classified, nbsp, excited-state ab initio trajectory
Ecology, Chemical Sciences not elsewhere classified, Science Policy, spectra, wavepacket dynamics Data, anharmonicity, Information Systems not elsewhere classified, Biophysics, Duschinsky effects, Plant Biology, Marine Biology, Biochemistry, Mathematical Sciences not elsewhere classified, Inorganic Chemistry, Finite-temperature, publication, data, ADC, ab initio thermo-field, Physical Sciences not elsewhere classified, Biological Sciences not elsewhere classified, nbsp, excited-state ab initio trajectory
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