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Department of Chemistry at Aarhus University



Publications from the Department of Chemistry

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Luis, J. M., Kirtman, B. & Christiansen, O. (2006). A variational approach for calculating Franck-Condon factors including mode-modeanharmonic coupling. Journal of Chemical Physics, 125, 154114-1- 154114-12.
Paterson, M. J., Christiansen, O., Pawlowski, F., Jørgensen, P., Hättig, C., Helgaker, T. & Salek, P. (2006). Benchmarking two-photon absorption with CC3 quadratic response theory,and comparison with density-functional response theory. Journal of Chemical Physics, 124, 054322-1- 054322-10.
Birkedal, H. & Pattison, P. (2006). Bis[4-(salicylideneamino)phenyl]-methane. Acta Crystallographica Section C: Crystal Structure Communications, 62, 139-141.
Madsen, G. K. H. & Singh, D. J. (2006). BoltzTraP. A code for calculating band-structure dependent quantities. Computer Physics Communications, 175, 67-.

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