Ab Initio Potential Energy Curves for the Ground and Low-Lying Excited States of OH and OH– and a Study of Rotational Fine Structure in Photodetachment

Saurabh Srivastava; N. Sathyamurthy

doi:10.1021/jp409940m

Ab Initio Potential Energy Curves for the Ground and Low-Lying Excited States of OH and OH– and a Study of Rotational Fine Structure in Photodetachment

The Journal of Physical Chemistry A ◽

10.1021/jp409940m ◽

2014 ◽

Vol 118 (33) ◽

pp. 6343-6350 ◽

Cited By ~ 7

Author(s):

Saurabh Srivastava ◽

N. Sathyamurthy

Keyword(s):

Fine Structure ◽

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves

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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 ◽

Cited By ~ 6

Author(s):

Saurabh Srivastava ◽

N. Sathyamurthy

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Ground State ◽

Potential Energy Curves

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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 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 ◽

Cited By ~ 63

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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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 ◽

Cited By ~ 15

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 ◽

Cited By ~ 1

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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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 ◽

Cited By ~ 3

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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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 ◽

Cited By ~ 3

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 potential energy curves for excited states of AIF

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(87)90181-0 ◽

1987 ◽

Vol 121 (1) ◽

pp. 189-198 ◽

Cited By ~ 6

Author(s):

David M. Hirst

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves

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Potential energy curves for ground and excited states of NaLi from ab initio calculations with effective core polarization potentials

Chemical Physics Letters ◽

10.1016/0009-2614(84)85005-8 ◽

1984 ◽

Vol 112 (2) ◽

pp. 120-128 ◽

Cited By ~ 58

Author(s):

I. Schmidt-Mink ◽

W. Müller ◽

W. Meyer

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Excited States ◽

Potential Energy Curves ◽

Core Polarization

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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

World Scientific Series in 20th Century Chemistry - Molecular Structure and Statistical Thermodynamics ◽

10.1142/9789812795960_0025 ◽

1993 ◽

pp. 141-146

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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