Accurate analytic potential energy function and spectroscopic study for CH(X2Π) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.03.022 ◽

2008 ◽

Vol 860 (1-3) ◽

pp. 101-105 ◽

Author(s):

De-Heng Shi ◽

Jin-Ping Zhang ◽

Jin-Feng Sun ◽

Yu-Fang Liu ◽

Zun-Lue Zhu ◽

...

Keyword(s):

Potential Energy ◽

Spectroscopic Study ◽

Energy Function ◽

Potential Energy Function ◽

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Correlation Consistent ◽

Analytic Potential

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Analytic potential energy function of PH2(X2 B1) radical using coupled-cluster method in combination with the correlation-consistent basis sets

Acta Physica Sinica ◽

10.7498/aps.58.5323 ◽

2009 ◽

Vol 58 (8) ◽

pp. 5323

Author(s):

Zhang Dong-Ling ◽

Tang Qing-Bin ◽

Zhang Jin-Ping ◽

Shi De-Heng ◽

Yu Ben-Hai

Keyword(s):

Potential Energy ◽

Energy Function ◽

Potential Energy Function ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Correlation Consistent ◽

Consistent Basis ◽

Analytic Potential

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Analytic potential energy function of the SiH2(C2v, X1A1) radical using CCSD(T) theory in combination with quintuple correlation-consistent basis set

Acta Physica Sinica ◽

10.7498/aps.58.5329 ◽

2009 ◽

Vol 58 (8) ◽

pp. 5329

Author(s):

Shi De-Heng ◽

Zhang Jin-Ping ◽

Sun Jin-Feng ◽

Liu Yu-Fang ◽

Zhu Zun-Lüe

Keyword(s):

Potential Energy ◽

Energy Function ◽

Potential Energy Function ◽

Basis Set ◽

Correlation Consistent ◽

Consistent Basis ◽

Analytic Potential

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Investigations on spectroscopic properties of SiH(X2Π) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2007.10.033 ◽

2008 ◽

Vol 851 (1-3) ◽

pp. 30-34 ◽

Author(s):

De-Heng Shi ◽

Jin-Ping Zhang ◽

Jin-Feng Sun ◽

Zun-Lue Zhu ◽

Ben-Hai Yu ◽

...

Keyword(s):

Spectroscopic Properties ◽

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Correlation Consistent

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Spectroscopic investigations on the HCl(X2 Π) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

International Journal of Quantum Chemistry ◽

10.1002/qua.22300 ◽

2009 ◽

Vol 110 (8) ◽

pp. 1481-1488

Author(s):

De-Heng Shi ◽

Jin-Ping Zhang ◽

Jin-Feng Sun ◽

Hui Liu ◽

Yu-Fang Liu ◽

...

Keyword(s):

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Spectroscopic Investigations ◽

Correlation Consistent

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Accurate Analytic Potential Energy Function and Spectroscopic Study for G 1 Π g State of Dimer 7 Li 2

Communications in Theoretical Physics ◽

10.1088/0253-6102/47/6/029 ◽

2007 ◽

Vol 47 (6) ◽

pp. 1114-1120 ◽

Author(s):

Shi De-Heng ◽

Ma Heng ◽

Sun Jin-Feng ◽

Zhu Zun-Lue

Keyword(s):

Potential Energy ◽

Spectroscopic Study ◽

Energy Function ◽

Potential Energy Function ◽

Analytic Potential

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Coupled-cluster single-double theory study on the analytic potential energy function of the SeN2 radicals

Acta Physica Sinica ◽

10.7498/aps.63.063101 ◽

2014 ◽

Vol 63 (6) ◽

pp. 063101

Author(s):

Zeng Hui ◽

Zhao Jun

Keyword(s):

Potential Energy ◽

Energy Function ◽

Potential Energy Function ◽

Coupled Cluster ◽

Analytic Potential

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Theoretical investigations on the NH+(X2Π) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.10.034 ◽

2009 ◽

Vol 896 (1-3) ◽

pp. 116-120 ◽

Author(s):

Deheng Shi ◽

Jinping Zhang ◽

Benhai Yu ◽

Jinfeng Sun ◽

Yufang Liu ◽

...

Keyword(s):

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Theoretical Investigations ◽

Correlation Consistent

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Theoretical investigations on the HF+(X2Π) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.02.041 ◽

2009 ◽

Vol 904 (1-3) ◽

pp. 98-102 ◽

Author(s):

Deheng Shi ◽

Zuyi Chen ◽

Jinping Zhang ◽

Jinfeng Sun ◽

Yufang Liu ◽

...

Keyword(s):

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Theoretical Investigations ◽

Correlation Consistent

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Theoretical investigations on the SH+(X3Σ−) ion using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

International Journal of Quantum Chemistry ◽

10.1002/qua.21918 ◽

2009 ◽

Vol 109 (6) ◽

pp. 1159-1166 ◽

Author(s):

De-Heng Shi ◽

Jin-Ping Zhang ◽

Yu-Fang Liu ◽

Jin-Feng Sun ◽

Zun-Lue Zhu

Keyword(s):

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Theoretical Investigations ◽

Correlation Consistent

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Investigations on spectroscopic properties of ND(X3Σ−) radical using coupled-cluster theory in combination with the correlation-consistent quintuple basis set augmented with diffuse functions

International Journal of Quantum Chemistry ◽

10.1002/qua.21802 ◽

2009 ◽

Vol 109 (2) ◽

pp. 202-209 ◽

Author(s):

De-Heng Shi ◽

Ben-Hai Yu ◽

Jin-Ping Zhang ◽

Yu-Fang Liu ◽

Zheng-He Zhu

Keyword(s):

Spectroscopic Properties ◽

Basis Set ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Correlation Consistent

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