• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Chinese science bulletin >Nonvariational calculation of eigenenergies for ~3S states of helium-like systems
【24h】

Nonvariational calculation of eigenenergies for ~3S states of helium-like systems

机译：类氦系统〜3S态的本征能的无变量计算

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

COMPARED with the popular hyperspherical coordinate scheme, the HHGLF method proposed by Deng and others has the advantages of rapid hyper radial convergence, analytical solution and huge basis set calculation. However, the problem of slow convergencein the hyperangle part still exists as other hyperspherical harmonics (HH) methods do. To solve the problem, we employed the idea of correlation function (CF), and modified the HHGLF into CFH-HGLF method. Because CF describes partially the characteristics of the real wave function, HH expansion would easily simulate the remaining part. CFHHGLF has been successfully applied to the ground states of the helium-like systems, as well as that of the low-lying singlet excited states with the same symmetry asthat of the ground state, the eigenenergies of which agree with the variational values. By using the symmetric bases of the two-dimensional irreducible representation for the permutation group S to replace HH, the eigenenergy of the ground lithium atom (1~2S) from CFHHGLF approaches the variational value. In this note, we try to apply the CFHHGLF method to the ~3S states of the helium-like systems to further verify the precision and application of the CFHHGLF.
机译：邓等人提出的HHGLF方法与流行的超球面坐标方案相比，具有快速超径向收敛，解析解和巨大基集计算的优点。但是，与其他超球形谐波（HH）方法一样，在超角度部分收敛缓慢的问题仍然存在。为了解决这个问题，我们采用了相关函数（CF）的思想，并将HHGLF修改为CFH-HGLF方法。由于CF部分描述了实波函数的特征，因此HH展开将很容易模拟其余部分。 CFHHGLF已成功应用于氦样系统的基态以及具有与基态相同对称性的低洼单重激发态的基态，其本征能与变化值一致。通过使用置换组S的二维不可约表示的对称基来代替HH，CFHHGLF的锂基原子（1〜2S）的本征能量接近变化值。在本文中，我们尝试将CFHHGLF方法应用于类氦系统的〜3S状态，以进一步验证CFHHGLF的精度和应用。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号