Ab initio calculation on the potential energy curves and spectroscopic properties of the low-lying excited states of BCl

Yu Kun;  Zhang Xiao-Mei;  Liu Yu-Fang

doi:10.7498/aps.62.063301

Ab initio calculation on the potential energy curves and spectroscopic properties of the low-lying excited states of BCl

Acta Physica Sinica ◽

10.7498/aps.62.063301 ◽

2013 ◽

Vol 62 (6) ◽

pp. 063301

Author(s):

Yu Kun ◽

Zhang Xiao-Mei ◽

Liu Yu-Fang

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Excited States ◽

Ab Initio Calculation ◽

Spectroscopic Properties ◽

Potential Energy Curves

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Ab initio calculation of the potential energy curves and spectroscopic properties of BP molecule

Acta Physica Sinica ◽

10.7498/aps.63.073302 ◽

2014 ◽

Vol 63 (7) ◽

pp. 073302

Author(s):

Wang Wen-Bao ◽

Yu Kun ◽

Zhang Xiao-Mei ◽

Liu Yu-Fang

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Calculation ◽

Spectroscopic Properties ◽

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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Accurate ab initio potential energy curves and spectroscopic properties of the low-lying electronic states of OH− and SH− molecular anions

Molecular Physics ◽

10.1080/00268976.2016.1191690 ◽

2016 ◽

Vol 114 (14) ◽

pp. 2204-2216 ◽

Cited By ~ 15

Author(s):

Berthelot Said Duvalier Ramlina Vamhindi ◽

Mama Nsangou

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Electronic States ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Molecular Anions

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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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Accurate ab initio calculation of potential energy curves and transition dipole moments of the Xe2+ molecular ion

Chemical Physics ◽

10.1016/s0301-0104(01)00505-5 ◽

2001 ◽

Vol 274 (1) ◽

pp. 1-9 ◽

Cited By ~ 41

Author(s):

Ivana Paidarová ◽

Florent Xavier Gadea

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Calculation ◽

Dipole Moments ◽

Potential Energy Curves ◽

Transition Dipole ◽

Molecular Ion ◽

Transition Dipole Moments

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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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Accurate ab initio potential energy curves and spectroscopic properties of the four lowest singlet states of C2

Highlights in Theoretical Chemistry - Thom H. Dunning, Jr. ◽

10.1007/978-3-662-47051-0_5 ◽

2013 ◽

pp. 47-58

Author(s):

Jeffery S. Boschen ◽

Daniel Theis ◽

Klaus Ruedenberg ◽

Theresa L. Windus

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Spectroscopic Properties ◽

Potential Energy Curves ◽

Singlet States

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Ab initio calculation of potential energy surfaces and spectroscopic properties of H2S and H3S+

The Journal of Chemical Physics ◽

10.1063/1.451703 ◽

1986 ◽

Vol 85 (9) ◽

pp. 5107-5116 ◽

Cited By ~ 34

Author(s):

P. Botschwina ◽

A. Zilch ◽

H.‐J. Werner ◽

P. Rosmus ◽

E.‐A. Reinsch

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Calculation ◽

Potential Energy Surfaces ◽

Spectroscopic Properties ◽

Energy Surfaces

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Valence ab initio calculation of the potential-energy curves for the Ca 2 dimer

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0449-z ◽

2003 ◽

Vol 110 (1) ◽

pp. 28-33 ◽

Cited By ~ 27

Author(s):

E. Czuchaj ◽

M. Krosnicki ◽

H. Stoll

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Calculation ◽

Potential Energy Curves

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