Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model

Author:

Dundas Karen Oda Hjorth Minde1,Beerepoot Maarten T. P.1ORCID,Ringholm Magnus1,Reine Simen2,Bast Radovan3,List Nanna Holmgaard45,Kongsted Jacob6ORCID,Ruud Kenneth1ORCID,Olsen Jógvan Magnus Haugaard1ORCID

Affiliation:

1. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway

2. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, N-0315 Oslo, Norway

3. Department of Information Technology, UiT The Arctic University of Norway, N-9037 Tromsø, Norway

4. Department of Chemistry and the PULSE Institute, Stanford University, 94305 Stanford, California, United States

5. SLAC National Accelerator Laboratory, 94025 Menlo Park, California, United States

6. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark

Funder

Norges Forskningsr?d

H2020 Marie Sklodowska-Curie Actions

Villum Fonden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

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