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Charge density at the nucleus and radial behavior of ground state for lithium-like ions with Z = 21 to 30
Authors:Yu Wei-Wei  Wang Zhi-Wen  Chen Chao  Cai Juan  Zhang Nan
Institution:a Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;b School of Physics and Electronic Technology, Liaoning Normal University, Dalian 116029, China;c School of Physics, Beijing Institute of Technology, Beijing 100081, China
Abstract: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.
Keywords:electron density  radial expectation values  upper and lower bounds  full core plus correlation method
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