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A High-Precision Calculation of Bond Length and Spectroscopic Constants of Hg2 Based on the Coupled-Cluster Theory with Spin-Orbit Coupling
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作者 涂喆研 王文亮 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第6期36-39,共4页
Based on the two-component relativistic effective core potential and matched basis sets cc-pwcvnz-pp (n=Q, 5), combining the completed basis-set extrapolation of electronic correlation energy and the fourth-order po... Based on the two-component relativistic effective core potential and matched basis sets cc-pwcvnz-pp (n=Q, 5), combining the completed basis-set extrapolation of electronic correlation energy and the fourth-order polynomial fitting technique, the bond length and spectroscopic constants of Hg2 are studied by the coupled cluster theory with spin-orbit coupling. Spin-orbit coupling is included in the post Hartree-Fock procedure, i.e., in the coupled- cluster iteration, to obtain more reliable theoretical results. The results show that our theoretical values agree with the experimental values very well and will be helpful to understand the spectral character of Hg2. 展开更多
关键词 HG A High-Precision calculation of Bond length and Spectroscopic Constants of Hg2 Based on the Coupled-Cluster Theory with Spin-Orbit Coupling
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Algorithm of Slub Yarn Parameter Measurement Based on Capacitive Sensors
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作者 练军 徐伯俊 《Journal of Donghua University(English Edition)》 EI CAS 2016年第4期678-681,共4页
A new algorithm of measurement slub yarn parameter was put forward to improve precision and efficient. The basic principal of measurement slub yarn by parallel-plate capacitor was introduced,and slub yarns were tested... A new algorithm of measurement slub yarn parameter was put forward to improve precision and efficient. The basic principal of measurement slub yarn by parallel-plate capacitor was introduced,and slub yarns were tested with a measurement system developed by ourselves. Time sequence for slub length and slub space can be got. And distributions of slub length,slub space and slub scaling factor can also be obtained. The agreement can be attained compared with those original settings. Some error was analyzed also. Consequently this system is effective,and can be adopted in practice. 展开更多
关键词 scaling capacitor length patch eliminate projection false iteration processed calculating
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