Quantics input files for 1,1-difluoroethylene
收藏DataCite Commons2024-01-19 更新2024-07-13 收录
下载链接：
https://rdr.ucl.ac.uk/articles/dataset/Quantics_input_files_for_1_1-difluoroethylene/21318339
下载链接
链接失效反馈官方服务：
资源简介：
Input and operator files to calculate state populations and spectra of photo-excited 1,1-difluoroethylene using the Quantics program. Theses files can be used together with Quantics to generate the data in the paper Gomez et al (Can. J. Chem., 101:745–757, 2023). The files are standard ascii files, grouped into directories for the different systems studied. The Quantics program is a mostly Fortran code for running quantum dynamics simulations. It is open source and runs on linux workstations. It is freely available on request to the authors of the paper. For further details of the program see Comp. Phys. Comm., 248:107040–15, 2020.
提供机构：
University College London
创建时间：
2022-10-12
