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Li, Y. Q., Ma, F. C., Sun, M. T. (2013) Accurate ab initio-based adiabatic global potential energy surface for the 22A″ state of NH2 by extrapolation to the complete basis set limit. The Journal of Chemical Physics, 139 (15). 154305pp. doi:10.1063/1.4824188

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Reference TypeJournal (article/letter/editorial)
TitleAccurate ab initio-based adiabatic global potential energy surface for the 22A″ state of NH2 by extrapolation to the complete basis set limit
JournalThe Journal of Chemical Physics
AuthorsLi, Y. Q.Author
Ma, F. C.Author
Sun, M. T.Author
Year2013 (October 21)Volume139
Issue15
PublisherAIP Publishing
DOIdoi:10.1063/1.4824188Search in ResearchGate
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Mindat Ref. ID2363089Long-form Identifiermindat:1:5:2363089:5
GUID0
Full ReferenceLi, Y. Q., Ma, F. C., Sun, M. T. (2013) Accurate ab initio-based adiabatic global potential energy surface for the 22A″ state of NH2 by extrapolation to the complete basis set limit. The Journal of Chemical Physics, 139 (15). 154305pp. doi:10.1063/1.4824188
Plain TextLi, Y. Q., Ma, F. C., Sun, M. T. (2013) Accurate ab initio-based adiabatic global potential energy surface for the 22A″ state of NH2 by extrapolation to the complete basis set limit. The Journal of Chemical Physics, 139 (15). 154305pp. doi:10.1063/1.4824188
In(2013, October) The Journal of Chemical Physics Vol. 139 (15) AIP Publishing

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Chai, S. J., Ma, H. Y., Lü, Y. L., Liu, J. Y., Li, Y. Q. (2020) Accurate global adiabatic potential energy surface for the ground state of AlH2+ by extrapolation to the complete basis set limit. Molecular Physics, 118 (7) doi:10.1080/00268976.2019.1655599
Song, Y. Z., Varandas, A. J. C. (2009) Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit. The Journal of Chemical Physics, 130 (13). 134317pp. doi:10.1063/1.3103268
Li, Y. Q., Varandas, A. J. C. (2010) Accurate Potential Energy Surface for the 12A′ State of NH2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set Limit†. The Journal of Physical Chemistry A, 114 (36). 9644-9654 doi:10.1021/jp100273r
Varandas, A. J. C. (2009) Accurate ab initio potential energy curves for the classic Li–F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling. The Journal of Chemical Physics, 131 (12). 124128pp. doi:10.1063/1.3237028
Li, Yongqing, Yuan, Jiuchuang, Chen, Maodu, Ma, Fengcai, Sun, Mengtao (2013) Accurate double many-body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH2. Journal of Computational Chemistry, 34 (19). 1686-1696 doi:10.1002/jcc.23310
Ma, H.Y., Guo, Q., Li, Y.Q. (2019) Accurate global potential energy surface by extrapolation to the complete basis set limit and dynamics studies for ground state of H2S−. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 219. 267-273 doi:10.1016/j.saa.2019.04.051
Varandas, A. J. C. (2011) Erratum: “Accurate ab initio potential energy curves for the classic Li–F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the nonadiabatic coupling” [J. Chem. Phys. 131, 124128 (2009)]. The Journal of Chemical Physics, 135 (11). 119902pp. doi:10.1063/1.3641404
Guo, Lu, Ma, Hongyu, Zhang, Lulu, Song, Yuzhi, Li, Yongqing (2018) Accurate global potential energy surface for the ground state of CH2+ by extrapolation to the complete basis set limit. RSC Advances, 8 (25). 13635-13642 doi:10.1039/c8ra02228c
Li, Yong-Qing, Song, Yu-Zhi, Varandas, António Joaquim de Campos (2015) Accurate adiabatic potential energy surface for 12A′ state of FH2 based on ab initio data extrapolated to the complete basis set limit. The European Physical Journal D, 69. doi:10.1140/epjd/e2014-50445-3
Li, Y. Q., Song, Y. Z., Song, P., Li, Y. Z., Ding, Y., Sun, M. T., Ma, F. C. (2012) Ab initio-based double many-body expansion potential energy surface for the first excited triplet state of the ammonia molecule. The Journal of Chemical Physics, 136 (19). 194705pp. doi:10.1063/1.4718705
Song, Y. Z., Varandas, A. J. C. (2011) Accurate Double Many-Body Expansion Potential Energy Surface for Ground-State HS2Based on ab Initio Data Extrapolated to the Complete Basis Set Limit. The Journal of Physical Chemistry A, 115 (21). 5274-5283 doi:10.1021/jp201980m
 
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