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Determination of the vibrational density of states and emission spectrum of lutetium monoxide
Author(s) -
GradoCaffaro MaríaÁngeles,
GradoCaffaro Martín
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900922
Subject(s) - lutetium , monoxide , context (archaeology) , carbon monoxide , morse code , molecule , chemistry , atomic physics , density functional theory , emission spectrum , molecular physics , computational chemistry , physics , spectral line , quantum mechanics , inorganic chemistry , organic chemistry , yttrium , catalysis , oxide , paleontology , biochemistry , electrical engineering , biology , engineering
A first: A theoretical‐analytical study is presented in which the vibrational density of states of the molecule ${{{}^{175}{\rm{{\rm Lu}}}{}^{16}{\rm{{\rm O$ is determined by assuming a Morse potential for the ground state of the molecule. In addition, the emission spectrum of lutetium monoxide is calculated (see graphic). Within this context, the quasi‐harmonic approximation is regarded. The results are consistent with experimental observations.