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High-dimensional fitting of sparse datasets of CCSD(T) electronic energies and MP2 dipole moments, illustrated for the formic acid dimer and its complex IR spectrum
Qu, Chen, Bowman, Joel M.Volume:
148
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5017495
Date:
June, 2018
File:
PDF, 786 KB
english, 2018