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采用多组态准简并微扰理论对旋轨耦合作用下HF+离子的基态X2Πi和第一激发态A2Σ+的性质进行了研究,得到了电子态X2Π3/2和2Π1/2的垂直跃迁能v[2Π1/2(v=0)→X2Π3/2(v=0)]=285.176 cm-1,以及电子态X2Π3/2和2Π1/2的势能曲线;采用Murrell-Sorbie函数和最小二乘法拟合得到了这两个分裂电子态的解析势能函数;并在此基础上推导出了电子态X2Π3/2,2Π1/2和A2Σ+的光谱常数,而且首次给出了分裂电子态X2Π3/2和2Π1/2的解析势能函数和光谱数据. 相似文献
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Quasiclassical trajectory (QCT) calculations have been performed for the abstraction reaction, D' +DS(v = 0, j = 0)→D'D+S on a new LZHH potential energy surface (PES) of the adiabatic 3A' electronic state [Lü et al. 2012 J. Chem. Phys. 136 094308]. The collision energy effect on the integral cross section and product polarization are studied over a wide collision energy range from 0.1 to 2.0 eV. The cross sections calculated by the QCT procedure are in good accordance with previous quantum wave packet results. The three angular distribution functions, P(θr), P(φr), and P(θr,φr), together with the four commonly used polarization-dependent differential cross sections ((2π/σ)(ds00/dωt), (2π/σ)(ds20/dωt), (2π/σ)(ds22+/dωt), (2π/σ)(ds21-/dωt)) are obtained to gain insight into the chemical stereodynamics of the title reaction. Influences of the collision energy on the product polarization are exhibited and discussed. 相似文献
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物理实验是高等学校实验教学的重要环节,对培养学生的科学素养、创新能力具有不可替代的地位和作用,实施以学生为中心的物理实验教学,构建"做中学、学中研、研中创"连动式物理实验研究性教学模式,注重实验过程,有效引导学生在做实验过程中自主学习,在自主学习过程中开展研究,在实验研究过程中追求创新。克服在实验过程中盲目单纯追求实验数据的被动学习方法,真正做到通过修读物理实验课程,让学生热爱基础学科,善于自主学习,培养科学思维和科学实验素质,提高学生实验创新能力,满足不同层次、不同专业学生实验需求。研究成果已经在本校系列物理实验课程教学中加以推广和应用,取得了不错的教学效果。 相似文献
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Theoretical study of stereodynamics for the D'+ DS(v=0,j=0) → D'D + S abstraction reaction 下载免费PDF全文
Quasiclassical trajectory (QCT) calculations have been performed for the abstraction reaction, D'+ DS(v = 0, j = 0) → D'D + S on a new LZHH potential energy surface (PES) of the adiabatic 3 A electronic state [Lü et al. 2012 J. Chem. Phys. 136 094308]. The collision energy effect on the integral cross section and product polarization are studied over a wide collision energy range from 0.1 to 2.0 eV. The cross sections calculated by the QCT procedure are in good accordance with previous quantum wave packet results. The three angular distribution functions, P(θr), P(φr), and P(θr,φr), together with the four commonly used polarization-dependent differential cross sections ((2π/σ)(dσ00/dωt), (2π/σ)(dσ20/dωt), (2π/σ)(dσ22+/dωt), (2π/σ)(dσ21/dωt)) are obtained to gain insight into the chemical stereodynamics of the title reaction. Influences of the collision energy on the product polarization are exhibited and discussed. 相似文献
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