The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals

Author: Honghui Shang; Jinlong Yang

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@article{Shang2020_JPCA,
 author = {Shang, Honghui and Yang, Jinlong},
 doi = {10.1021/acs.jpca.0c01453},
 file = {:C$\backslash$:/Users/shanghui/Desktop/papers/acs.jpca.0c01453.pdf:pdf},
 issn = {1089-5639},
 journal = {The Journal of Physical Chemistry A},
 month = {apr},
 number = {14},
 pages = {2897--2906},
 title = {The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals},
 url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpca.0c01453},
 volume = {124},
 year = {2020}
}