Optical excitation and stabilization of ultracold field-linked tetratomic molecules [dataset]

Supporting dataset for "Optical excitation and stabilization of ultracold field-linked tetratomic molecules". The directory 'Code' contains plug-in routines for the MOLSCAT package (available from https://github.com/molscat/molscat (2020)) to enable calculations on molecular 2-body collisions. The plug-in basis-set suite 'base9-rotors_dressed_EField.f' sets up the basis set to handle collisions of two dipolar molecules colliding in the ground electronic X+X in the presence of static electric fields, whereas 'base9-rotors_dressed_EField_diffelec.f' sets up the same for molecules colliding in different electronic states. The postprocessor code 'absorb.f' calculates S-matrix elements, taking into account absorbing boundary conditions set at RMIN. The directory 'MOLPRO_output' contains MOLPRO output files for LiCs properties. For other molecules, the atomic basis sets should be changed according to Refs [44] and [46]. The directory 'MOLSCAT_input_output' contains example input and output files for MOLSCAT scattering calculations for LiCs+LiCs, both in X+X and X+b manifolds. Only changing the molecular parameters will allow calculations for any other molecule. In addition, it contains the postprocessor input and output files to calculate cross sections with a fully absorbing boundary condition at RMIN. The directory 'BOUND_input_output' contains example input and output files for BOUND calculations of FL tetramer states of LiCs+LiCs in X+X and X+b manifolds. The directory 'Figure_data_files' contains data files in '.csv' format corresponding to all figures. The filenames of the .csv files correspond to the figure numbers.《超冷场关联四原子分子的光激发与稳定》配套数据集。 'Code'目录包含用于MOLSCAT软件包（可从https://github.com/molscat/molscat获取，2020年版）的插件程序，用于实现分子二体碰撞的相关计算。其中，插件基组套件'base9-rotors_dressed_EField.f'用于构建基组，以处理静电场下处于基电子态X+X的两个偶极分子的碰撞过程；而'base9-rotors_dressed_EField_diffelec.f'则可针对处于不同电子态的碰撞分子实现相同功能。后处理程序'absorb.f'可计算S矩阵（S-matrix）元，其考虑了设置于RMIN处的吸收边界条件。 'MOLPRO_output'目录包含LiCs性质相关的MOLPRO输出文件。对于其他分子，需根据参考文献[44]和[46]修改原子基组。 'MOLSCAT_input_output'目录包含LiCs+LiCs体系（分别处于X+X和X+b电子态流形）的MOLSCAT散射计算示例输入与输出文件。仅需修改分子参数，即可实现其他任意分子的相关计算。此外，该目录还包含用于计算散射截面的后处理程序输入与输出文件，其采用了设置于RMIN处的全吸收边界条件。 'BOUND_input_output'目录包含LiCs+LiCs体系在X+X与X+b电子态流形下的场连接（field-linked）四聚体态BOUND计算示例输入与输出文件。 'Figure_data_files'目录包含与所有插图对应的.csv格式数据文件，其文件名与插图编号一一对应。