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Molecular properties and potential energy function model of BH under external electric field 被引量:7
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作者 伍冬兰 谭彬 +2 位作者 万慧军 张新琴 谢安东 《Chinese Physics B》 SCIE EI CAS CSCD 2013年第12期194-198,共5页
Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other p... Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect. 展开更多
关键词 BH molecule potential function model external electric field
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The Analytical Potential Energy Function of NH Radical Molecule in External Electric Field 被引量:5
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作者 伍冬兰 谭彬 +2 位作者 万慧军 谢安东 丁大军 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第7期34-37,共4页
The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR s... The geometric structures of an Nit radical in different external electric fields are optimized by using the density functional B3P86/cc-PVSZ method, and the bond lengths, dipole moments, vibration frequencies and IR spectrum are obtained. The potential energy curves are gained by the CCSD (T) method with the same basis set. These results indicate that the physical property parameters and potential energy curves may change with the external electric field, especially in the reverse direction electric field. The potential energy function of zero field is fitted by the Morse potential, and the fitting parameters are in good accordance with the experimental data. The potential energy functions of different external electric fields are fitted adopting the constructed potential model. The fitted critical dissociation electric parameters are shown to be consistent with the numerical calculation, and the relative errors are only 0.27% and 6.61%, hence the constructed model is reliable and accurate. The present results provide an important reference for further study of the molecular spectrum, dynamics and molecular cooling with Stark effect. 展开更多
关键词 The Analytical Potential Energy function of NH Radical Molecule in external Electric Field NH
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To improve the mechanical function of bovine jugular vein by external stent
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作者 高峰 《外科研究与新技术》 2011年第3期177-177,共1页
Objective To increase the mechanic characteristic of bovine jugular veins conduit (BJVC) by combined knitted stent outside made of nylon fiber. Methods Got rid of the cells of BJVC by enzymolysis,then combined a fabri... Objective To increase the mechanic characteristic of bovine jugular veins conduit (BJVC) by combined knitted stent outside made of nylon fiber. Methods Got rid of the cells of BJVC by enzymolysis,then combined a fabric stent with a acellular bovine jugular vein 展开更多
关键词 To improve the mechanical function of bovine jugular vein by external stent
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