VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments

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Authors: Zilvinas Rinkevicius, Xin Li, Olav Vahtras, Karan Ahmadzadeh, Manuel Brand, Magnus Ringholm, Nanna Holmgaard List, Maximilian Scheurer, Mikael Scott, Andreas Dreuw, Patrick Norman

Journal title: WIREs Computational Molecular Science

Journal publisher: John Wiley & Sons Inc.

Published year: 2019

Published pages: 1-14

DOI identifier: 10.1002/wcms.1457

ISSN: 1759-0876