A comment on “Ab initio study: the potential energy curves and ro-vibrational spectrum of low-lying excited states of HCl+ cation”

Molecular Physics ◽

10.1080/00268976.2017.1390174 ◽

2017 ◽

Vol 116 (3) ◽

pp. 310-312

Author(s):

Ya-Jun Liu ◽

Xin-Lu Cheng ◽

Hua-Jun Chen ◽

Jun-Xia Cheng ◽

Xiao-Shu Song

Keyword(s):

Potential Energy ◽

Vibrational Spectrum ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves ◽

Ab Initio Study

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Ab initio study: the potential energy curves and ro-vibrational spectrum of low-lying excited states of HCl+ cation

Molecular Physics ◽

10.1080/00268976.2016.1187310 ◽

2016 ◽

Vol 114 (19) ◽

pp. 2817-2823 ◽

Author(s):

Yajun Liu ◽

Xinlu Cheng ◽

Huajun Cheng ◽

Junxia Cheng ◽

Xiaoshu Song

Keyword(s):

Potential Energy ◽

Vibrational Spectrum ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves ◽

Ab Initio Study

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Ab initio study on potential energy curves of electronic ground and excited states of 40CaH+ molecule

Chemical Physics Letters ◽

10.1016/j.cplett.2011.11.048 ◽

2012 ◽

Vol 521 ◽

pp. 31-35 ◽

Author(s):

Minori Abe ◽

Yoshiki Moriwaki ◽

Masahiko Hada ◽

Masatoshi Kajita

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves ◽

Ab Initio Study ◽

Electronic Ground

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Comment on ‘Ab initio study: the potential energy curves and rovibrational spectrum of low-lying excited states of HCl+ cation’ (Molecular Physics, 114:19, 2817–2823)

Molecular Physics ◽

10.1080/00268976.2017.1317860 ◽

2017 ◽

Vol 115 (13) ◽

pp. 1465-1466 ◽

Author(s):

José Luis Doménech

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves ◽

Ab Initio Study ◽

Molecular Physics

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Ab Initio Potential Energy Curves for the Ground and Low Lying Excited States of NH– and the Effect of 2Σ± States on Λ-Doubling of the Ground State X2Π

The Journal of Physical Chemistry A ◽

10.1021/jp4027628 ◽

2013 ◽

Vol 117 (36) ◽

pp. 8623-8631 ◽

Author(s):

Saurabh Srivastava ◽

N. Sathyamurthy

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Ground State ◽

Potential Energy Curves

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Ab initio study on the low-lying potential energy curves of the diatomic cesium iodide cation (CsI+)

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.09.007 ◽

2012 ◽

Vol 999 ◽

pp. 239-245 ◽

Author(s):

Yuzuru Kurosaki ◽

Keiichi Yokoyama

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Cesium Iodide ◽

Potential Energy Curves ◽

Ab Initio Study

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Ab initio study of the three lowest states X 2∑+, 2Π1/2, 2Π3/2, and B 2∑+ of the HeNe+ ion: Potential energy curves, Λ doubling, and predissociation rates of the rotational levels in the 2Π1/2 (v=0) state

The Journal of Chemical Physics ◽

10.1063/1.459180 ◽

1990 ◽

Vol 93 (2) ◽

pp. 1165-1175 ◽

Author(s):

Bernhard Gemein ◽

Regina de Vivie ◽

Sigrid D. Peyerimhoff

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Curves ◽

Ab Initio Study

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Ab initio effective core potentials including relativistic effects. IV. Potential energy curves for the ground and several excited states of Au2

The Journal of Chemical Physics ◽

10.1063/1.437189 ◽

1979 ◽

Vol 70 (1) ◽

pp. 293 ◽

Author(s):

Walter C. Ermler ◽

Yoon S. Lee ◽

Kenneth S. Pitzer

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Relativistic Effects ◽

Potential Energy Curves ◽

Effective Core Potentials

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An Ab Initio Study on Four Low-lying Electronic Potential Energy Curves for Atomic Cesium and Rare Gas Pairs

Chemistry Letters ◽

10.1246/cl.160730 ◽

2016 ◽

Vol 45 (12) ◽

pp. 1400-1402 ◽

Author(s):

Takanori Kobayashi ◽

Kenta Yuki ◽

Leo Matsuoka

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Curves ◽

Rare Gas ◽

Ab Initio Study ◽

Electronic Potential

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Ab initio study of NaRb+: Potential energy curves, spectroscopic constants and atomic polarizabilities

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2006.12.029 ◽

2007 ◽

Vol 808 (1-3) ◽

pp. 1-7 ◽

Author(s):

C. Ghanmi ◽

H. Bouzouita ◽

N. Mabrouk ◽

H. Berriche

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Potential Energy Curves ◽

Spectroscopic Constants ◽

Ab Initio Study

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Radiative lifetimes of spin forbidden a1Δ → X 3Σ− and spin allowed A3Π → X 3Σ− transitions and complete basis set extrapolated ab initio potential energy curves for the ground and excited states of CH−

The Journal of Chemical Physics ◽

10.1063/1.4768873 ◽

2012 ◽

Vol 137 (21) ◽

pp. 214314 ◽

Author(s):

Saurabh Srivastava ◽

N. Sathyamurthy

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves ◽

Basis Set ◽

Radiative Lifetimes ◽

Complete Basis ◽

Complete Basis Set

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