Open AccessAnalytic high-order energy derivatives for metal nanoparticle-mediated infrared and Raman scattering spectra within the framework of quantum mechanics/molecular mechanics model with induced charges and dipoles
Author(s) -
Zheng Pei,
Yuezhi Mao,
Yihan Shao,
WanZhen Liang
Publication year - 2022
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0118205
Subject(s) - chemistry , dipole , hyperpolarizability , molecular physics , raman scattering , raman spectroscopy , computational chemistry , quantum mechanics , physics , molecule , polarizability
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