...
首页> 外文期刊>The Journal of Chemical Physics >Electron-pair momentum densities of heavy atoms Cs through Lr
【24h】

Electron-pair momentum densities of heavy atoms Cs through Lr

机译:重原子Cs到Lr的电子对动量密度

获取原文
获取原文并翻译 | 示例
           

摘要

Spherically averaged electron-pair intraculeirelative motion) h(v) and extracule (center~of-mas: motion) d(p) densities in momentum space are constructed for the 49 heavy atoms Cs (atomic number2=55) through Lr(2= 103), by using the numerical Hartree-Fock method. As knownfo the 53 lighter atoms from He(2= 2) to Xe(2= 54), the electron-pair densities h(v) and d(p) ofth( heavy atoms are found to be classified into three and two types, respectively, based on thei modalities. No new types are observed even when] subshells are occupied. Subshell-pair analysi: clarifies that different modalities reflect different valence electron configurations. The:'intracule(vn; and extracule (pn) moments and the electron-electron coalescence h(o) and counterbalance d(o: densities are also obtained. The preSent resul.ts for 2= 55~ 103, together with the previou~ ones [1 Chem. Phys. 107,8510 (1997); 108,3424 (1998)] for 2=2-54, provide a compilation of accuratl Hartree-Fock values of the momentum-space electron-pair properties for the 102 neutral atoms iJ the periodic table.
机译:通过Lr(2 = 103),使用数值Hartree-Fock方法。从He(2 = 2)到Xe(2 = 54)的53个较轻原子已知,重原子的电子对密度h(v)和d(p)被分类为三种和两种类型,分别基于它们的模态,即使占据了子壳也没有观察到新的类型。子壳对分析:阐明了不同的模态反映了不同的价电子构型。 -电子聚结h(o)和平衡d(o:密度)。现有的2 = 55〜103的结果,以及以前的结果[1 Chem。Phys。107,8510(1997); 108 ,3424(1998)]对于2 = 2-54,提供了周期表中102个中性原子的动量-空间电子对性质的精确Hartree-Fock值的汇编。

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