The Moving-Grid Effect in the Harmonic Vibrational Frequency Calculations with Numeric Atom-Centered Orbitals. Shang, H. & Yang, J. The Journal of Physical Chemistry A, 124(14):2897–2906, apr, 2020.
Paper doi bibtex @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}
}
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