排序方式: 共有36条查询结果,搜索用时 15 毫秒
31.
贾毅 《河北省科学院学报》1993,10(2):41-46
文章简要介绍了石家庄西部山区洪水、滑坡、泥石流发生历史,探讨了其变化规律及产生原因,有针对性地提出一些防治对策措施。 相似文献
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本文针对双圆弧齿轮减速器应用中给定中心距和传动比的优化设计,阐述了迭代枚举,综合评判优化设计的基本思想和方法。大型抽油机双圆弧齿轮减速器优化设计证明该方法是正确可行的。 相似文献
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企业信息化建设过程中的几点建议 总被引:1,自引:0,他引:1
企业实现管理信息化已是大势所趋。然而怎样实现企业信息化?由于许多企业缺少经验走了弯路,挫伤了企业信息化建设的信心。通过自身在参与信息化建设过程中遇到的问题和经验提供给大家以作参考。 相似文献
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利用MOLPRO从头算程序包, 选用完全活性空间自洽场(CASSCF)方法并选取cc-pVTZ, cc-pVQZ, cc-pV5Z和cc-pV6Z基组, 计算了NO分子基态的平衡核间距与谐振频率, 从中优选出cc-pV5Z基组进行单点能扫描, 并将扫描结果用最小二乘法拟合得到4参数、5参数、6参数和7参数的Murrell-Sorbie势能函数. 通过比较由势能函数计算出的光谱数据, 最终确定6参数的结果最好. 最后, 利用拟合出的解析势能函数, 通过求解径向Schrödinger方程, 得到了NO分子基态J=0时的全部38个振动态的振动能级、经典转折点、惯性转动常数以及6个离心畸变常数. 相似文献
36.
Accurate potential energy function and spectroscopic study of the X^2∑+, A^2П and B^2∑+ states of the CP radical
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This paper calculates the equilibrium internuclear separations, the harmonic frequencies and the potential energy curves of the X^2∑+, A^2П and B^2∑+ states of the CP radical by the highly accurate valence internally contracted multireference configuration interaction method with correlation-consistent basis sets (aug-cc-pV6Z for C atom and aug-cc-pVQZ for P atom). The potential energy curves are all fitted with the analytic potential energy function by the least-square fitting. Employing the analytic potential energy function, we determine the spectroscopic constants (Be, αe and ωeχe) of these states. For the X2∑+ state, the obtained values of De, Be, αe, ωeχe, Re and ωe are 5.4831 eV, 0.792119 cm-1, 0.005521 cm-1, 6.89653 cm-1, 0.15683 nm, 12535.11 cm-1, respectively. For the A2H state, the present values of De, Be,αe, ωeχe, Re and We are 4.586 eV, 0.703333 cm-1, 0.005458 cm-1, 6.03398 cm-1, 0.16613 nm, 1057.89 cm-1, respectively. For the B2E+ state, the present values of De, Be, αe, ωeχe, Re and We are 3.506 eV, 0.677561 cm-1, 0.00603298 cm-1, 5.68809 cm-1, 0.1696 nm, 822.554 cm-1, respectively. For these states, the vibrational states with the rotational quantum number J equals zero (J = 0) are studied by solving the radial nuclear Schr6dinger equation using the Numerov method. For each vibrational state, the vibrational level, the classical turning points, the rotational inertial and the centrifugal distortion constants are calculated. Comparison is made with recent theoretical and experimental results. 相似文献