中国物理B ›› 2012, Vol. 21 ›› Issue (7): 73102-073102.doi: 10.1088/1674-1056/21/7/073102
• ATOMIC AND MOLECULAR PHYSICS • 上一篇 下一篇
于伟威a, 王治文a b, 陈超c, 蔡娟b, 张楠b
Yu Wei-Wei(于伟威)a), Wang Zhi-Wen(王治文)a)b)†, Chen Chao(陈超)c), Cai Juan(蔡娟) b), and Zhang Nan(张楠)b)
摘要: By using the full core plus correlation (FCPC) type wave functions, the accurate charge densities ρ (0) at the nucleus and the radial expectation values of the ground states for the lithium-like systems with Z=21 to 30 are obtained. The determinantal conditions and the electron-nucleus cusp condition are used to calculate the inequalities of the upper and the lower bounds to ρ (0) with two or more expectation values. These inequalities derived by Angulo and Dehesa [Phys. Rev. A 44 1516 (1991)] are verified to be valid too for these ions with higher nuclear charge. The present results show that the wave functions used in this paper are satisfactory in the whole configuration space for these ions with higher nuclear charge.
中图分类号: (Calculations and mathematical techniques in atomic and molecular physics)