Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/64006
Type: Artigo de Periódico
Title: Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule
Authors: Leonardo Gabriel Diniz
Nikita Kirnosov
Alexander Alijah
José Rachid Mohallem
Ludwik Adamowicz
Abstract: A very accurate dipole moment curve (DMC) for the ground X1 Rþ electronic state of the 7LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC – the most accurate to our knowledge – and the corresponding highly accurate potential energy curve are used to calculate the transition energies, the transition dipole moments, and the Einstein coefficients for the rovibrational transitions with DJ ¼ 1 and Dv 6 5. The importance of the non-adiabatic effects in determining these properties is evaluated using the model of a vibrational R-dependent effective reduced mass in the rovibrational calculations introduced earlier (Diniz et al., 2015). The results of the present calculations are used to assess the quality of the two complete linelists of 7 LiH available in the literature.
Subject: Momentos dipolares
Hidreto de lítio
language: eng
metadata.dc.publisher.country: Brasil
Publisher: Universidade Federal de Minas Gerais
Publisher Initials: UFMG
metadata.dc.publisher.department: ICX - DEPARTAMENTO DE FÍSICA
Rights: Acesso Restrito
metadata.dc.identifier.doi: https://doi.org/10.1016/j.jms.2016.03.001
URI: http://hdl.handle.net/1843/64006
Issue Date: 2016
metadata.dc.url.externa: https://www.sciencedirect.com/science/article/pii/S0022285216300297
metadata.dc.relation.ispartof: Journal of Molecular Spectroscopy
Appears in Collections:Artigo de Periódico

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