Support using hybrid functionals for RT-TDDFT calculations. #6886
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mohanchen
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Jan 23, 2026
mohanchen
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EXX and lr-TDDFT
mohanchen
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Jan 25, 2026
Flying-dragon-boxing
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Jan 26, 2026
…ling#6886) * Add files via upload * Add files via upload * Add files via upload * Add files via upload * Delete source/ctrl_output_td.h * Add files via upload * Add files via upload * Add files via upload * Add files via upload * Update td_info.cpp * Update td_current_io_comm.cpp --------- Co-authored-by: Mohan Chen <mohanchen@pku.edu.cn>
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What's changed?
Using hybrid functionals can more accurately account for many-body effects such as excitons. The test results for dielectric function of bulk Si are as follows:
This result is more consistent with the experiment.