Tamm-Dancoff Approximation (Section 5.4)
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https://data.hpc.imperial.ac.uk/resolve/?doi=8349
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资源简介：
TDA excited state energy calculation log files for 6E-12E and 6C-15C, from MP2/dgtzvp optimised geometries. Note that "Msub" refers to the centre-substituted molecules, while Esub refers to edge-substituted molecules.
提供机构：
Imperial College London
创建时间：
2021-06-27
