Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient

Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient
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高斯原子基础内的腔量子电动力学时间相关密度泛函理论。

DOI:
10.1063/5.0082386
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发表时间:
2022
期刊:
The Journal of Chemical Physics
影响因子:
--
通讯作者:
Shao, Yihan
Shao, Yihan
中科院分区:
--
文献类型:
--
作者:
Yang, Junjie;Pei, Zheng;Leon, Erick Calderon;Wickizer, Carly;Weng, Binbin;Mao, Yuezhi;Ou, Qi;Shao, Yihan

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