Combining ab initio and machine learning method to improve the prediction of diatomic vibrational energies.

Autor: Fu, Jia1 (AUTHOR) fujia@mail.xhu.edu.cn, Wan, Zhitao1 (AUTHOR), Yang, Zhangzhang1 (AUTHOR), Liu, Li1 (AUTHOR), Fan, Qunchao1 (AUTHOR) fanqunchao@mail.xhu.edu.cn, Xie, Feng2 (AUTHOR), Zhang, Yi3 (AUTHOR), Ma, Jie4 (AUTHOR)
Zdroj: International Journal of Quantum Chemistry. 9/15/2022, Vol. 122 Issue 18, p1-9. 9p.
Databáze: Academic Search Ultimate
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