Efficient non-parametric fitting of potential energy surfaces for polyatomic molecules with Gaussian processes
Author:
Funder
Natural Sciences and Engineering Research Council of Canada
Publisher
IOP Publishing
Subject
Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://stacks.iop.org/0953-4075/49/i=22/a=224001/pdf
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1. Permutationally invariant potential energy surfaces in high dimensionality
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