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  • 1
    Online Resource
    Online Resource
    Analysis on the Existing Main Problems and Countermeasures of Rural Education
    Asian Institute of Research ; 2021
    In:  Education Quarterly Reviews Vol. 4, No. 4 ( 2021-12-30)
    Details
    In: Education Quarterly Reviews, Asian Institute of Research, Vol. 4, No. 4 ( 2021-12-30)
    Abstract: At the Fifth Plenary Session of the 19th CPC Central Committee, the party put forward the 14th five year plan and the long-term goal of 2035, it put forward that we should not only give priority to the development of agriculture and rural areas and comprehensively promote rural revitalization, but also strive to build an educational power, improve farmers' scientific, technological and cultural literacy and promote the revitalization of rural talents. Human resources are the first resource for China's economic and social development, and education is the main way to develop human resources. Rural Revitalization needs talent revitalization, which is inseparable from the revitalization of rural education. However, there are still some problems to be solved in rural education. This paper combs the problems existing in the school running conditions, teachers, family education, education quality, local culture and the development status of rural vocational education, analyzes the causes of the problems, and puts forward the countermeasures for the development of rural education. Such as increasing investment in Education funds, strengthening the construction of school standardization; Improving the economic treatment and social status of rural teachers, strengthening the construction of rural teachers and enhancing their sense of rural belonging; Strengthening the role of family education and sharing the responsibilities of vulnerable groups; Improving the quality of education and creating local characteristic courses; Vigorously developing rural vocational education. Through these measures, we can promote the healthy and sustainable development of rural education. At the same time, the government, society, schools and families need to work together to attach great importance to and strive to solve the problems existing in rural education. Therefore, this article combs the problems existing in rural education and seeks solutions in order to help the rapid development of rural education.
    Type of Medium: Online Resource
    ISSN: 2621-5799
    URL: Issue
    URL: Journal
    URL: Article
    DOI: 10.31014/aior.1993.04.04
    DOI: 10.31014/aior.1993
    DOI: 10.31014/aior.1993.04.04.403
    Language: Unknown
    Publisher: Asian Institute of Research
    Publication Date: 2021
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  • 2
    Online Resource
    Online Resource
    Cable Steady-State Ampacity Correction Method based on Multi Physical Field Coupling Algorithm
    Editura Electra ; 2022
    In:  Electrotehnica, Electronica, Automatica Vol. 70, No. 2 ( 2022-05-15), p. 19-27
    Details
    In: Electrotehnica, Electronica, Automatica, Editura Electra, Vol. 70, No. 2 ( 2022-05-15), p. 19-27
    Abstract: The difference between the single air laying ampacity test value of medium voltage power cable and the system ampacity of three-phase laying and operation is a common problem in the industry. Based on the TICW-2012 standard, the single cable ampacity of medium voltage single core power cable is tested, and the COMSOL basic simulation model is debugged with the measured ampacity value. On the premise of correct single cable basic simulation model, the system ampacity under three-phase operation under different working conditions is calculated, including triangular laying, plane laying, single circuit and double circuit laying, The difference and correction coefficient between the test current carrying capacity and the of single air laying of medium voltage single core power cable are further analysed. Finally, the analytical formula is derived through the cable ampacity equivalent thermal circuit diagram, and the cable samples are theoretically analysed and calculated. According to the ampacity calculation results of single loop triangular laying and plane laying, the correctness of the simulation results is verified. This study provides a reference basis for the current carrying capacity test and correction of medium voltage power cable in the future, and also provides an effective method for the actual operation state analysis of medium voltage power cable.
    Type of Medium: Online Resource
    ISSN: 1582-5175 , 2392-828X
    URL: Issue
    URL: Journal
    URL: Article
    DOI: 10.46904/eea.22.70.2
    DOI: 10.46904/eea
    DOI: 10.46904/eea.22.70.2.1108003
    Language: Unknown
    Publisher: Editura Electra
    Publication Date: 2022
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  • 3
    Online Resource
    Online Resource
    icMRCI+Q study on spectroscopic properties of twelve -S states and twenty-three states of the CF+ cation
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2016
    In:  Acta Physica Sinica Vol. 65, No. 3 ( 2016), p. 033102-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 65, No. 3 ( 2016), p. 033102-
    Abstract: The potential energy curves of twenty-three states generated from the twelve -S states (X1+, a3, 13+, 13, 11, 11-, 13-, 21+, 11, 23, 21 and 23+) correlating with the first dissociation channel C+(2Pu)+ F(2Pu) of the CF+ cation are obtained by using the internally contracted multireference configuration interaction approach with the Davidson modification (icMRCI+Q) on the basis of the correlation-consistent aug-cc-pV5Z and aug-cc-pV6Z basis sets for the first time. The spin-orbit coupling, core-valence correlation and relativistic corrections are taken into account, and all the potential energy curves are extrapolated to the complete basis set limit by separately extrapolating the Hartree-Fock and correlation energies scheme. Based on the calculated potential energy curves, the spectroscopic parameters of the bound and quasibound nine -S and sixteen states of the CF+ cation are obtained. And the spectroscopic parameters of X1+and a31st well-S states which are in very good agreement with experimental results are achieved. Furthermore, the vertical and adiabatic ionization potentials of ionization from the X2 state of CF radical to the bound and quasibound nine -S states of the CF+ cation are calculated, and the vertical and adiabatic ionization potentials of the CF+(X1+) CF(X2 ) and CF+(a31st well) CF(X2 ) ionizations are also in good agreement with the corresponding experimental values. Various curve crossings of -S states are revealed, and with the help of our computed spin-orbit coupling matrix elements, the predissociation mechanisms of the a31st well, 111st well and 21+ states are analyzed for the first time. The spin-orbit-induced predissociations for the a31st well, 111st well and 21+-S states could happen, and the predissociations of the a31st well, 111st well and 21 +-S states start around the vibrational levels ' = 15, ' = 1 and ' = 1, respectively. Relative energies of the twenty-three states in the dissociation limits are given, and our calculations match the experimental results very well. Finally, the Franck-Condon factors and radiative lifetimes of transitions from (2) 0+1st well (;'=05), (1) 11st well ('=05) and (2) 11st well ('=0) to X0+ states are predicted for the future laboratory research.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.65.033102
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2016
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  • 4
    Online Resource
    Online Resource
    Theoretical study on spectroscopic properties of 8 Λ-S and 23 Ω states for BH molecule
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2022
    In:  Acta Physica Sinica Vol. 71, No. 10 ( 2022), p. 103101-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 71, No. 10 ( 2022), p. 103101-
    Abstract: In this work, the potential energy curves of eight low electronic states (X〈sup〉1〈/sup〉Σ〈sup〉+〈/sup〉, a〈sup〉3〈/sup〉Π, A〈sup〉1〈/sup〉Π, b〈sup〉3〈/sup〉Σ〈sup〉-〈/sup〉, 2〈sup〉3〈/sup〉Π, 1〈sup〉3〈/sup〉Σ〈sup〉+〈/sup〉, 1〈sup〉5〈/sup〉Σ〈sup〉-〈/sup〉, and 1〈sup〉5〈/sup〉Π) and twenty-three Ω states of BH molecule, and the transition dipole moments among the 〈inline-formula〉〈tex-math id="M10"〉\begin{document}$ {\text{X}}{}^{\text{1}}{\Sigma}_{{{\text{0}}^ + }}^ + $\end{document}〈/tex-math〉〈alternatives〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M10.jpg"/〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M10.png"/〉〈/alternatives〉〈/inline-formula〉, 〈inline-formula〉〈tex-math id="M11"〉\begin{document}$ {{\text{a}}^{\text{3}}}{\Pi_{{{\text{0}}^ + }}} $\end{document}〈/tex-math〉〈alternatives〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M11.jpg"/〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M11.png"/〉〈/alternatives〉〈/inline-formula〉, a〈sup〉3〈/sup〉Π〈sub〉1〈/sub〉, a〈sup〉3〈/sup〉Π〈sub〉2〈/sub〉, and A〈sup〉1〈/sup〉Π〈sub〉1〈/sub〉 states are calculated by using the internally contracted multireference configuration interaction (icMRCI) method. In order to obtain the accurate potential energy curve, the errors caused by single and double electron excitation, core-valence correlation effects, relativistic effects and basis set truncation are corrected. The spectral and transition data of BH molecule are in good agreement with the available theoretical and experimental data. The calculation results show that the A〈sup〉1〈/sup〉Π〈sub〉1〈/sub〉(〈i〉υ′〈/i〉 = 0-2, 〈i〉J′〈/i〉 = 1, +) →〈inline-formula〉〈tex-math id="M12"〉\begin{document}$ {\text{X}}{}^{\text{1}}{\Sigma}_{{{\text{0}}^ + }}^ + $\end{document}〈/tex-math〉〈alternatives〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M12.jpg"/〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M12.png"/〉〈/alternatives〉〈/inline-formula〉(〈i〉υ′′〈/i〉 = 0-2, 〈i〉J′′〈/i〉 = 1, –) transition has large Einstein 〈i〉A〈/i〉-coefficient, weighted absorption oscillator strength, and highly diagonal vibrational branching ratio〈i〉 R〈/i〉〈sub〉〈i〉υ′υ′′〈/i〉〈/sub〉, and the excited state A〈sup〉1〈/sup〉Π〈sub〉1〈/sub〉(〈i〉υ′〈/i〉 = 0, 1) have short spontaneous radiation lifetimes. Moreover, the effects of 〈inline-formula〉〈tex-math id="M13"〉\begin{document}$ {{\text{a}}^{\text{3}}}{\Pi_{{{\text{0}}^ + }}} $\end{document}〈/tex-math〉〈alternatives〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M13.jpg"/〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M13.png"/〉〈/alternatives〉〈/inline-formula〉and a〈sup〉3〈/sup〉Π〈sub〉1〈/sub〉 states on A〈sup〉1〈/sup〉Π〈sub〉1〈/sub〉(〈i〉υ′〈/i〉 = 0) ↔ 〈inline-formula〉〈tex-math id="M14"〉\begin{document}$ {\text{X}}{}^{\text{1}}{\Sigma}_{{{\text{0}}^ + }}^ + $\end{document}〈/tex-math〉〈alternatives〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M14.jpg"/〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M14.png"/〉〈/alternatives〉〈/inline-formula〉(〈i〉υ′′〈/i〉 = 0) cycle transition can be ignored. Therefore, according to the A〈sup〉1〈/sup〉Π〈sub〉1〈/sub〉(〈i〉υ′〈/i〉〈sub〉 〈/sub〉= 0-1, 〈i〉J′〈/i〉 = 1, +) ↔ 〈inline-formula〉〈tex-math id="M15"〉\begin{document}$ {\text{X}}{}^{\text{1}}{\Sigma}_{{{\text{0}}^ + }}^ + $\end{document}〈/tex-math〉〈alternatives〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M15.jpg"/〉〈graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="10-20220038_M15.png"/〉〈/alternatives〉〈/inline-formula〉(〈i〉υ′′〈/i〉〈sub〉 〈/sub〉= 0-3, 〈i〉J〈/i〉′′ = 1, –) cycle transition, we propose to apply one main cooling laser (〈i〉λ〈/i〉〈sub〉00〈/sub〉 = 432.45 nm) and two repumping lasers (〈i〉λ〈/i〉〈sub〉10〈/sub〉 = 479.67 nm and 〈i〉λ〈/i〉〈sub〉21〈/sub〉 = 481.40 nm) to laser cooling BH molecules, and evaluation of the cooling effect.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Article
    DOI: 10.7498/aps.71.20220038
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2022
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  • 5
    Online Resource
    Online Resource
    Spectroscopic parameters and molecular constants of CSe(X1Σ+) radical
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2011
    In:  Acta Physica Sinica Vol. 60, No. 6 ( 2011), p. 063101-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 60, No. 6 ( 2011), p. 063101-
    Abstract: The spectroscopic and molecular properties of CSe(X1Σ+) radical are investigated using the complete active space self-consistent field (CASSCF) method followed by the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach. The potential energy curve (PEC) is calculated over the internuclear separation range from 0.08 to 2.5 nm at the basis sets, aug-cc-pV5Z for C and aug-cc-pV5Z-pp for Se atom. The spectroscopic parameters (D0, De, Re, ωe, ωexe, αe and Be) of six isotope molecules (12C74Se, 12C76Se, 12C77Se, 12C78Se, 12C80Se and 12C82Se) are evaluated using the PEC of CSe(X1Σ+) radical. The spectroscopic parameters are compared with those reported in the literature, and excellent agreement is found between them. With the PEC of CSe(X1Σ+) radical obtained here, a total of 81 vibrational states of 12C80Se species are predicted when J = 0 by numerically solving the radical Schrödinger equation of nuclear notion. For each vibrational state of every isotope species, the vibrational levels, classical turning points and inertial rotation constants are reported, which are in agreement with the available experimental data.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.60.063101
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2011
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  • 6
    Online Resource
    Online Resource
    Study on spectroscopic properties of B2 (X3g-, A3u) molecule
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2012
    In:  Acta Physica Sinica Vol. 61, No. 20 ( 2012), p. 203101-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 61, No. 20 ( 2012), p. 203101-
    Abstract: The X3g- and A3u states of B2 molecule are studied using highly accurate valence internally contracted multireference configuration interaction approach including the Davidson modification. The Dunning's correlation-consistent basis sets, aug-cc-pV6Z and aug-cc-pV5Z, are used in the study. To obtain more reliable results, the potential energy curves (PECs) of two electronic states are extrapolated to the complete basis set limit by the two-point total-energy extrapolation scheme. The effects of the core-valence correlation and relativistic correction on PEC are taken into account. Employing these PECs, the spectroscopic parameters (Te, Re, e, exe, eye, Be, e, e and e) of the X3g- and A3u states of two main isotopes (11B2, 10B11B) are determined and compared with those reported in the literature. Comparison with the experimental data demonstrates that the present results are accurate. With the PECs determined here, the whole vibrational states for 11B2 (X3g-, A3u) and 10B11B (X3g-, A3u) are determined when the rotational quantum number J equals zero (J=0) by numerically solving the radical Schrdinger equation of nuclear motion. For each vibrational state of every isotope species, the vibrational level and inertial rotation constants are obtained, which are in excellent accordance with the experimental findings.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.61.203101
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2012
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  • 7
    Online Resource
    Online Resource
    Study on spectroscopic parameters and molecular constants of CS+(X2Σ+) and CS+(A2Π) by MRCI
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2011
    In:  Acta Physica Sinica Vol. 60, No. 4 ( 2011), p. 043102-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 60, No. 4 ( 2011), p. 043102-
    Abstract: The potential energy curves (PECs) of CS+(X2Σ+) and CS+(A2Π) have been investigated using the full valence complete active space self-consistent field (CASSCF) method through the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach over the internuclear separation range from 0.05 to 0.60 nm. In the present calculations, the basis sets for S and C are both aug-cc-pV6Z. The spectroscopic parameters of three main isotopes (12C32S+, 12C33S+, 12C34S+) have been determined. The present D0, De, Re, ωe, ωeχe, αe and Be for 12C32S+(X2Σ+) are 6.4694 eV, 6.5542 eV, 0.14975 nm, 1371.89 cm-1, 7.5746 cm-1, 0.006481 cm-1 and 0.8616 cm-1, respectively; and those for CS+(A2Π) are 4.8460 eV, 4.9084 eV, 0.16449 nm, 1009.31 cm-1, 6.4970 cm-1, 0.006110 cm-1 and 0.7134 cm-1, respectively, which have been compared with those of previous results reported in the literature. And the comparison shows that the present results and the experimental results are in excellent agreement with each other. With the PECs of CS+(X2Σ+) and CS+(A2Π) determined here, the vibrational states for each electronic state are determined when the rotational quantum number J equals zero (J = 0). For the first 30 vibrational states, the vibrational level G(υ), inertial rotation constant Bυ and centrifugal distortion constant Dυ for 12C32S+(X2Σ+) and 12C32S+(A2Π) are evaluated when J = 0, which are in good accordance with the available RKR data.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.60.043102
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2011
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  • 8
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    Online Resource
    icMRCI+Q study on spectroscopic properties and predissociation mechanisms of electronic states of BF+ cation
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2018
    In:  Acta Physica Sinica Vol. 67, No. 6 ( 2018), p. 063301-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 67, No. 6 ( 2018), p. 063301-
    Abstract: In this paper, we study the spectroscopic properties and predissociation mechanisms of 14 states, which come from the first two dissociation channels of the BF+ cation. The potential energy curves of 14 Λ-S (X2Σ+, 12Π, 22Π, 22Σ+, 14Σ+, 14Δ, 14Σ1, 12Δ, 12Σ1, 32Σ+, 14Π, 24Π, 24Σ+, and 32Π) and corresponding 30 Ω states are calculated using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson modification. To improve the reliability and accuracy of the potential energy curves, the core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energy to the complete basis set limit are taken into account. The spin-orbit coupling is computed using the state interaction approach with the Breit-Pauli Hamiltonian. Based on these potential energy curves, the spectroscopic parameters and vibrational levels are determined for all the bound and quasi-bound Λ-S and Ω states. The present ground-state spectroscopic constants match well with the available experimental data. In addition, the vertical and adiabatic ionization potentials from the X1Σ+ state of BF molecule to the X2Σ+, 12Π, and 22Σ+ states of BF+ cation are calculated. The results of BF+(X2Σ+) ← BF(X1Σ+) ionization are in good agreement with the measurements. Various curve crossings of Λ-S states are revealed. We calculate the spin-orbit matrix elements between two interacting electronic states in the curve crossing region. With the help of present spin-orbit coupling matrix elements, we analyze the predissociation mechanisms of X2Σ+ and 32Π states along with the perturbations of the nearby states to 22Π, 14Σ+ and 32Σ+ states for the first time. The predissociation of X2Σ+ and 32Π states have a chance to occur around the vibrational levels υ"=30 and υ'=0 due to spin-orbit coupling, respectively. The present results also indicate that the υ' ≥ 9 vibrational levels of 22Π state are perturbed by the crossing states 22Σ+, 14Σ+, 14Δ, 14Σ1, 12Δ, 12Σ1, 32Σ+, and 14Π, that the υ' ≥ 4 vibrational levels of 14Σ+ state are perturbed via the interacting states 14Σ1 and 12Σ1, and the great perturbations between υ' ≥ 4 vibrational levels of 32Σ+ state and υ' ≥ 0 vibrational levels of 14Π state. For the 30 Ω state, we also calculate the relative energies of dissociation limits compared with the lowest one matching well with the experimental ones. Finally, the Franck-Condon factors, Einstein coefficients, and radiative lifetimes are evaluated for the 22Π (υ'=0-9)-X2Σ+, 22Σ+ (υ'=0-2)-X2Σ+, (3)1/2-(1)1/21st well, and (2)3/2 (υ'=0-9)-(1)1/21st well transitions.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.67.20172114
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2018
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  • 9
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    Theoretical study on spectroscopic properties and predissociation mechanisms of the electronic states of carbon monofluoride
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2015
    In:  Acta Physica Sinica Vol. 64, No. 15 ( 2015), p. 153101-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 64, No. 15 ( 2015), p. 153101-
    Abstract: The potential energy curves of twenty-five Ω states generated from the eleven Λ-S states (X2Π, a4Σ-, A2Σ+, B2Δ, 14Π, 12Σ-, 24Π, 14Δ, 14Σ+, 22Σ- and 24Σ-) of the carbon monofluoride are calculated using the internally contracted multireference configuration interaction approach with the Davidson modification (icMRCI+Q) in the correlation-consistent aug-cc-pV5Z and aug-cc-pV6Z basis sets, for the first time so far as we know. The spin-orbit coupling, core-valence correlation, and relativistic corrections are taken into account, and all the potential energy curves are extrapolated to the complete basis set limit by separately extrapolating the Hartree-Fock and correlation energies scheme. Based on the calculated potential energy curves, the spectroscopic parameters of the bound and quasibound Λ-S and Ω states are obtained, and a very good agreement with experiment is achieved. It demonstrates that the spectroscopic parameters of A2Σ+(1st well), 24Π Λ-S and the eleven Ω states reported here for the first time can be expected to be reliably predicted results. The 24Π quasibound state caused by avoiding crossings are found, and the important electronic configurations of the bound and quasibound Λ-S states near the equilibrium positions Re are given. Various crossings in curves of Λ-S states are revealed, and with the help of our computed spin-orbit coupling matrix elements, the predissociation mechanisms of the a4Σ- and B2Δ states are analyzed. Dissociation relationships and dissociation channels of the twenty-five Ω states also are given. The transition properties of the A2Σ+-X2Π transitions are finally predicted, and our computed Franck-Condon factors and radiative lifetimes match the available experimental results very well.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.64.153101
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2015
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  • 10
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    Spectroscopic properties of AlC (X4∑-, B4∑-) molecule
    Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences ; 2013
    In:  Acta Physica Sinica Vol. 62, No. 11 ( 2013), p. 113101-
    Details
    In: Acta Physica Sinica, Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences, Vol. 62, No. 11 ( 2013), p. 113101-
    Abstract: The potential energy curves (PECs) of X4∑- and B4∑- states of the AlC molecule have been studied using highly accurate internally contracted multireference configuration interaction approach with the Davidson modification. The Dunning's correlation-consistent basis sets, aug-cc-pVnZ (n=D,T,Q,5,6) are used for the present study. To improve the quality of PECs, core-valence correlation and scalar relativistic corrections are considered. Core-valence correlation corrections are calculated with an aug-cc- pCVTZ basis set. Scalar relativistic correction calcualtions are made using the third-order Douglas-Kroll Hamiltonian approximation at the level of a cc-pV5Z basis set. Obvious effect on the PECs by the core-valence correlation and relativistic corrections has been observed. All the PECs are extrapolated to the complete basis set limit. The convergence observations of present calculations are made and the convergent behavior is discussed with respect to the basis set. Using these PECs, the spectroscopic parameters (TeReωeωexeωeyeBe and αe) of the X4∑- and B4∑- states are determined and compared with those reported in the literature. The vibration manifolds are evaluated for each state of non-rotation AlC molecule by numerically solving the radial Schrödinger equation of nuclear motion. For each vibrational state, the vibrational level and inertial rotation constants are obtained, which are in excellent accordance with the experimental findings.
    Type of Medium: Online Resource
    ISSN: 1000-3290 , 1000-3290
    URL: Journal
    URL: Article
    DOI: 10.7498/aps
    DOI: 10.7498/aps.62.113101
    Language: Unknown
    Publisher: Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
    Publication Date: 2013
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