Merkliste 
 1 Ergebnisse 
 
1

Vibrational spectroscopy beyond the harmonic approximation ..:

Dundas, Karen Oda Hjorth Minde
Paper I: Dundas, K.O.H.M., Beerepoot, M.T.P., Ringholm, M., Reine, S., Bast, R., List, N.H., … Olsen, J.M.H. Harmonic Infrared and Raman Spectra in Molecular Environments using the Polarizable Embedding Model. (Submitted manuscript). Paper II: Dundas, K.O.H.M., Reine, S.S., Gao, B., Ruud, K., Olsen, J.M.H. & Ringholm, M. Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Theory Framework. (Manuscript). Paper III: Olsen, J.M.H., Reine, S.S., Vahtras, O., Kjellgren, E., Reinholdt, P., Dundas, K.O.H., … Norman, P. (2020). Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. Journal of Chemical Physics, 152 (21), 214115. Also available in Munin at https://hdl.handle.net/10037/18566 ..  , 2021