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Supporting Information for "Autoionizing excited states of N_$2$ using complex-basis function spin-flip coupled cluster theory"

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DataCite Commons2026-01-07 更新2026-01-12 收录
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It includes additional com- putational details, including the choice of atomic ba- sis sets, the CBF-based trajectory analysis, and the CASSCF reference configurations for the excited states.

提供机构:
AIP Publishing
创建时间:
2025-12-17
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