AdaBoost Ensemble Correction Models for TDDFT Calculated Absorption Energies

Molecular excited states are important for molecular optical properties, which can be feasibly explored by quantum chemical calculations. However, the computation is highly demanding due to their complicated characteristic features. Therefore, high accuracy and unambiguous descriptions are strongly...

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Auteurs principaux:	Jingxia Cui, Wenze Li, Chao Fang, Shunting Su, Jiaoyang Luan, Ting Gao, Lihong Hu, Yinghua Lu, Guanhua Chen
Format:	Artigo
Langue:	Inglês
Publié:	IEEE 2019-01-01
Collection:	IEEE Access
Sujets:	Ensemble learning AdaBoost regression TDDFT absorption energies
Accès en ligne:	https://ieeexplore.ieee.org/document/8668753/
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