Charge density at the nucleus and radial behavior of ground state for lithium-like ions with Z=21 to 30

【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 also valid 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.更多还原

【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 also valid 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.更多还原