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WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation WFOT: 用于光谱模拟的单参考和多参考电子结构方法之间的波函数重叠工具 Loreti, Alessandro; Freixas, Victor Manuel; Avagliano, Davide; Segatta, Francesco; Song, Huajing; Tretiak, Sergei; Mukamel, Shaul; Garavelli, Marco; Govind, Niranjan; Nenov, Artur 分享 收藏
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NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations Freixas, Victor M.; Malone, Walter; Li, Xinyang; Song, Huajing; Negrin-Yuvero, Hassiel; Perez-Castillo, Royle; White, Alexander; Gibson, Tammie R.; Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Zhang, Yu; Fedik, Nikita; Kulichenko, Maksim; Messerly, Richard; Mohanam, Luke Nambi; Sharifzadeh, Sahar; Bastida, Adolfo; Mukamel, Shaul; Fernandez-Alberti, Sebastian; Tretiak, Sergei 分享 收藏
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NEXMD Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations Malone, Walter; Nebgen, Benjamin; White, Alexander; Zhang, Yu; Song, Huajing; Bjorgaard, Josiah A.; Sifain, Andrew E.; Rodriguez-Hernandez, Beatriz; Freixas, Victor M.; Fernandez-Alberti, Sebastian; Roitberg, Adrian E.; Nelson, Tammie R.; Tretiak, Sergei 分享 收藏