AdaBoost Ensemble Correction Models for TDDFT Calculated Absorption Energies

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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Bibliographic Details
Main Authors: Jingxia Cui, Wenze Li, Chao Fang, Shunting Su, Jiaoyang Luan, Ting Gao, Lihong Hu, Yinghua Lu, Guanhua Chen
Format: Article
Language:English
Published: IEEE 2019-01-01
Series:IEEE Access
Subjects:
Ensemble learning
AdaBoost
regression
TDDFT
absorption energies
Online Access:https://ieeexplore.ieee.org/document/8668753/

Internet

https://ieeexplore.ieee.org/document/8668753/

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