Analytical potential energy functions and spectroscopic properties of the ground and excited states of BH molecule

Wang Xin-Qiang;  Yang Chuan-Lu;  Su Tao;  Wang Mei-Shan

doi:10.7498/aps.58.6873

Analytical potential energy functions and spectroscopic properties of the ground and excited states of BH molecule

Acta Physica Sinica ◽

10.7498/aps.58.6873 ◽

2009 ◽

Vol 58 (10) ◽

pp. 6873

Author(s):

Wang Xin-Qiang ◽

Yang Chuan-Lu ◽

Su Tao ◽

Wang Mei-Shan

Keyword(s):

Potential Energy ◽

Excited States ◽

Spectroscopic Properties ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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Analytical potential energy functions and spectroscopic properties for the ground and low-lying excited states of KRb

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.08.088 ◽

2012 ◽

Vol 99 ◽

pp. 57-61 ◽

Cited By ~ 7

Author(s):

Kun Chen ◽

Chuan-Lu Yang ◽

Mei-Shan Wang ◽

Xiao-Guang Ma ◽

Wen-Wang Liu

Keyword(s):

Potential Energy ◽

Excited States ◽

Spectroscopic Properties ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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MRCI potential curves and analytical potential energy functions of the low-lying excited states (1∏，3∏) of ZnHg

Acta Physica Sinica ◽

10.7498/aps.56.2547 ◽

2007 ◽

Vol 56 (5) ◽

pp. 2547

Author(s):

Gao Feng ◽

Yang Chuan_Lu ◽

Zhang Xiao_Yan

Keyword(s):

Potential Energy ◽

Excited States ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential ◽

Potential Curves

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He2分子激发态的势能函数和离解极限研究Analytical Potential Energy Functions and Dissociation Limits for Excited States of He2 Molecule

Modern Physics ◽

10.4236/mp.2012.23010 ◽

2012 ◽

Vol 02 (03) ◽

pp. 55-59

Author(s):

张云光

Keyword(s):

Potential Energy ◽

Excited States ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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Analytical potential energy functions for the ground and some excited states of N2

Molecular Physics ◽

10.1080/00268976.2014.904052 ◽

2014 ◽

Vol 112 (20) ◽

pp. 2665-2671 ◽

Cited By ~ 2

Author(s):

Zhixiang Fan ◽

Qunchao Fan ◽

Yanping Nie ◽

Weiguo Sun ◽

Yi Zhang ◽

...

Keyword(s):

Potential Energy ◽

Excited States ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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Analytical Potential Energy Functions and Dissociation Limits for Excited States of He2 Molecule

Modern Physics ◽

10.12677/mp.2012.23010 ◽

2012 ◽

Vol 02 (03) ◽

pp. 55-59

Author(s):

云光张

Keyword(s):

Potential Energy ◽

Excited States ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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Potential energy curves and analytical potential energy functions of the metastable states of B 2 ++

Chinese Physics ◽

10.1088/1009-1963/15/9/014 ◽

2006 ◽

Vol 15 (9) ◽

pp. 1981-1986 ◽

Cited By ~ 9

Author(s):

Zhang Xiao-Yan ◽

Yang Chuan-Lu ◽

Gao Feng ◽

Ren Ting-Qi

Keyword(s):

Potential Energy ◽

Metastable States ◽

Potential Energy Curves ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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A theoretical investigation of the $${{\rm SO}}({{B}^{3}\Sigma ^{-}{-}{X}^{3}\Sigma ^{-}}$$SO(B3Σ--X3Σ-) vibronic transition using accurate analytical potential energy functions

Theoretical Chemistry Accounts ◽

10.1007/s00214-020-2571-6 ◽

2020 ◽

Vol 139 (3) ◽

Cited By ~ 2

Author(s):

Ramon S. da Silva ◽

Maikel Y. Ballester

Keyword(s):

Potential Energy ◽

Theoretical Investigation ◽

Vibronic Transition ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential

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The analytical potential energy functions, spectroscopic parameters and ro-vibrational spectra of SH+ molecule

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.10.013 ◽

2012 ◽

Vol 979 ◽

pp. 44-48 ◽

Cited By ~ 5

Author(s):

Xin-Yan Liu ◽

Chuan-Lu Yang ◽

Mei-Shan Wang ◽

Xiao-Guang Ma ◽

Wen-Wang Liu

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Energy Functions ◽

Spectroscopic Parameters ◽

Potential Energy Functions ◽

Analytical Potential

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Laser induced fluorescence spectra and carbonyl wagging potential energy functions for the S1(n,π*) excited states of tetrahydrofuran-3-one and tetrahydrothiophen-3-one: Correlation between inversion barrier and angle strain for cyclic ketones

The Journal of Chemical Physics ◽

10.1063/1.473109 ◽

1997 ◽

Vol 106 (10) ◽

pp. 3876-3883 ◽

Cited By ~ 6

Author(s):

Paul A. Sagear ◽

S. N. Lee ◽

Jaan Laane

Keyword(s):

Potential Energy ◽

Excited States ◽

Fluorescence Spectra ◽

Laser Induced Fluorescence ◽

Cyclic Ketones ◽

Inversion Barrier ◽

Energy Functions ◽

Potential Energy Functions

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Vibrational spectra and analytical potential energy functions of some electronic states of Na2

Canadian Journal of Physics ◽

10.1139/cjp-2015-0579 ◽

2017 ◽

Vol 95 (3) ◽

pp. 253-261

Author(s):

Qunchao Fan ◽

Zhixiang Fan ◽

Weiguo Sun ◽

Yi Zhang ◽

Jia Fu

Keyword(s):

Potential Energy ◽

Vibrational Spectra ◽

Electronic States ◽

Potential Energy Function ◽

Spectroscopic Constants ◽

Energy Functions ◽

Potential Energy Functions ◽

Analytical Potential ◽

Consistent Method ◽

Vibrational Energies

The improved variational algebraic energy consistent method (VAECM) is suggested to study the vibrational spectra and analytical potential energy functions of six excited electronic states [Formula: see text], 21Δg, (5d)1Δg, (6d)1Δg, (7d)1Δg, and (8d)1Δg of Na2. The full vibrational energies, the vibrational spectroscopic constants, the force constants fn, and the expansion coefficients an of the potential are tabulated. The VAECM analytical potential energy function with adjustable parameter λ for each electronic state is determined. The full vibrational energies of each of these electronic states correctly converge to its dissociation energy and have no artificial barrier in all the calculation ranges. The VAECM analytical potentials excellently agree with the Rydberg–Klein–Rees potentials.

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