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Mario Vazdar et al.
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Neil K. Gibbs et al.
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Zhenggang Lan et al.
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Benjamin G. Levine et al.
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Roland Mitric et al.
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Ultrafast dynamics in isolated molecules and molecular clusters
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S Perun et al.
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T Yanai et al.
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B Cronin et al.
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Adiabatic time-dependent density functional methods for excited state properties
F Furche et al.
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M Hartmann et al.
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M Ben-Nun et al.
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