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

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

Wiley interdisciplinary reviews. Computational molecular science, 2020-09, Vol.10 (5), p.e1457-n/a [Periódico revisado por pares]

Hoboken, USA: Wiley Periodicals, Inc

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