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收藏Gator: A Python-driven program for spectroscopy simulations using correlated wave functionsGator: 使用相关波函数进行光谱模拟的Python驱动程序
Rehn, Dirk R.; Rinkevicius, Zilvinas; Herbst, Michael F.; Li, Xin; Scheurer, Maximilian; Brand, Manuel; Dempwolff, Adrian L.; Brumboiu, Iulia E.; Fransson, Thomas; Dreuw, Andreas; Norman, Patrick
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收藏VeloxChem: A Python-driven density-functional theory program for spectroscopy simulations in high-performance computing environmentsVeloxChem: 用于在高性能计算环境中进行光谱模拟的Python驱动的密度泛函理论程序
Rinkevicius, Zilvinas; Li, Xin; Vahtras, Olav; Ahmadzadeh, Karan; Brand, Manuel; Ringholm, Magnus; List, Nanna Holmgaard; Scheurer, Maximilian; Scott, Mikael; Dreuw, Andreas; Norman, Patrick
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