Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule
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- 作者：Leonardo G. Diniza ; leogabriel@deii.cefetmg.br" class="auth_mail" title="E-mail the corresponding author ; Nikita Kirnosovb ; kirnosov@email.arizona.edu" class="auth_mail" title="E-mail the corresponding author ; Alexander Alijahc ; alexander.alijah@univ-reims.fr" class="auth_mail" title="E-mail the corresponding author ; José ; R. Mohallemd ; rachid@fisica.ufmg.br" class="auth_mail" title="E-mail the corresponding author ; Ludwik Adamowicze ; ludwik@u.arizona.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：Dipole moment ; Einstein coefficients ; Non-adiabatic effects
- 刊名：Journal of Molecular Spectroscopy
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：322
- 期：Complete
- 页码：22-28
- 全文大小：333 K
文摘
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Accurate dipole moment curve computed with all-particle explicitly correlated Gaussian functions with shifted centers.
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Benchmark calculations of rovibrational states and Einstein coefficients.
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Non-adiabatic effects taken care of by use of a coordinate-dependent reduced mass.