本文基于惠更斯–菲涅耳积分公式,推导出了广义厄尔米特–双曲余弦–高斯光束在手性介质中传输的解析表达式,并以此为基础,对该光束在手性介质中的传播规律进行了详细的数值计算。研究结果表明,手性介质参数和光束的源参数对广义厄尔米...本文基于惠更斯–菲涅耳积分公式,推导出了广义厄尔米特–双曲余弦–高斯光束在手性介质中传输的解析表达式,并以此为基础,对该光束在手性介质中的传播规律进行了详细的数值计算。研究结果表明,手性介质参数和光束的源参数对广义厄尔米特–双曲余弦–高斯光束在手性介质中的传输特性产生影响。我们的研究有助于加深对这种光束与手性介质之间的相互作用的理解。In this paper, based on Huygens-Fresnel integral formula, an analytical expression for a generalized Hermite-Hyperbolic Cosine-Gaussian beam propagating in chiral media is derived. Based on this, the propagation properties of such beams are researched numerically in detail in chiral media. The research results indicate that the chiral medium parameter and the beam source parameters have an impact on the propagation properties of the generalized Hermite-Hyperbolic Cosine-Gaussian beam in chiral media. Our research is beneficial to a further understanding of the interaction between the beam and chiral media.展开更多
本文采用了PBE0/6-311 + g (d, p)研究了H2在40价电子的Al13Cu团簇上的吸附性能。Al13Cu团簇的最低能量结构是Al原子居中的笼状结构,次稳定结构是Cu原子居中的笼状结构。氢分子吸附的研究表明,氢在Cu原子上的吸附较强,在Al原子上的吸附...本文采用了PBE0/6-311 + g (d, p)研究了H2在40价电子的Al13Cu团簇上的吸附性能。Al13Cu团簇的最低能量结构是Al原子居中的笼状结构,次稳定结构是Cu原子居中的笼状结构。氢分子吸附的研究表明,氢在Cu原子上的吸附较强,在Al原子上的吸附较弱。H2分子更倾向于在原子的顶部位置吸附,氢分子以平行的方式吸附于Cu原子的顶位上时,吸附能最大为−0.029 eV。氢在Al13Cu团簇的次稳定结构上很难形成稳定的吸附结构。Cu原子的掺杂使Al基团簇对氢分子的吸附增强。The adsorption of H2 on Al13Cu (40 valence electrons) clusters are studied by PBE0/6-311 + g (d, p). The lowest energy structure of Al13Cu clusters is a cage with Al atom in the center, and the metastable structure is a cage with Cu atom in the center. The H2 molecule tends to adsorb at the top of atoms, and the adsorption energy of hydrogen on the top of Cu atom are bigger than that on Al atoms. The maximum adsorption energy of H2 molecule is −0.029 eV. Doping of Cu atom enhances the adsorption of hydrogen molecules on Al based clusters.展开更多
文摘本文基于惠更斯–菲涅耳积分公式,推导出了广义厄尔米特–双曲余弦–高斯光束在手性介质中传输的解析表达式,并以此为基础,对该光束在手性介质中的传播规律进行了详细的数值计算。研究结果表明,手性介质参数和光束的源参数对广义厄尔米特–双曲余弦–高斯光束在手性介质中的传输特性产生影响。我们的研究有助于加深对这种光束与手性介质之间的相互作用的理解。In this paper, based on Huygens-Fresnel integral formula, an analytical expression for a generalized Hermite-Hyperbolic Cosine-Gaussian beam propagating in chiral media is derived. Based on this, the propagation properties of such beams are researched numerically in detail in chiral media. The research results indicate that the chiral medium parameter and the beam source parameters have an impact on the propagation properties of the generalized Hermite-Hyperbolic Cosine-Gaussian beam in chiral media. Our research is beneficial to a further understanding of the interaction between the beam and chiral media.
文摘本文采用了PBE0/6-311 + g (d, p)研究了H2在40价电子的Al13Cu团簇上的吸附性能。Al13Cu团簇的最低能量结构是Al原子居中的笼状结构,次稳定结构是Cu原子居中的笼状结构。氢分子吸附的研究表明,氢在Cu原子上的吸附较强,在Al原子上的吸附较弱。H2分子更倾向于在原子的顶部位置吸附,氢分子以平行的方式吸附于Cu原子的顶位上时,吸附能最大为−0.029 eV。氢在Al13Cu团簇的次稳定结构上很难形成稳定的吸附结构。Cu原子的掺杂使Al基团簇对氢分子的吸附增强。The adsorption of H2 on Al13Cu (40 valence electrons) clusters are studied by PBE0/6-311 + g (d, p). The lowest energy structure of Al13Cu clusters is a cage with Al atom in the center, and the metastable structure is a cage with Cu atom in the center. The H2 molecule tends to adsorb at the top of atoms, and the adsorption energy of hydrogen on the top of Cu atom are bigger than that on Al atoms. The maximum adsorption energy of H2 molecule is −0.029 eV. Doping of Cu atom enhances the adsorption of hydrogen molecules on Al based clusters.
