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

Author:

Fu Jia1ORCID,Wan Zhitao1,Yang Zhangzhang1,Liu Li1,Fan Qunchao1,Xie Feng2,Zhang Yi3,Ma Jie4

Affiliation:

1. College of science, Key Laboratory of High Performance Scientific Computation Xihua University Chengdu China

2. Institute of Nuclear and New Energy Technology, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education Tsinghua University Beijing China

3. College of Advanced Interdisciplinary Studies National University of Defense Technology Changsha China

4. State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, College of Physics and Electronics Engineering Shanxi University Taiyuan China

Funder

National Natural Science Foundation of China

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

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