Excited-state static polarizabilities of small molecules - structural data
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https://repod.icm.edu.pl/citation?persistentId=doi:10.18150/AFKZXU
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资源简介：
The entire work comprises several structural datasets used in calculations of excited-state polarizabilities for a set of more than 40 singlet states from 27 small organic molecules. Reference data were obtained using the coupled-cluster CC3 model in combination with the aug-cc-pVTZ atomic basis set. The studied set includes both valence and Rydberg states.
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RepOD
创建时间：
2026-03-09
