Constructing Spectroscopic-Accuracy Potential Energy Surfaces beyond CCSD(T) via Active and Transfer Learning: A Case Study of H2O–Ne

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.6c01262
Affiliations:
3
Authors:
7
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Institutions Authors Share
State Key Laboratory of Supramolecular Structure and Materials, JLU, China
5.500000
 0.79
Yantai University (YTU), China
1.000000
 0.14
Queen's University, Canada
0.500000
 0.07
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