By using the full core plus correlation method recently developed,the accurately analytical charge densities for the lithium-like systems(Z=3-8)are obtained.The convergence pattern of the charge densities is analyzed....By using the full core plus correlation method recently developed,the accurately analytical charge densities for the lithium-like systems(Z=3-8)are obtained.The convergence pattern of the charge densities is analyzed.The electron-nuclear cusp condition is calculated for these systems.Also,at the region far from the nucleus,the behavior of the electron density is examined.The present calculations show that the wave functions used in this work can give the satisfactory and self-consistent results in full configuration space.展开更多
The excitation energies of the excited states ls^(2)nl(l=s,p,d,and f,and 6≤n≤9)and the dipole oscillator strengths of the 1s22s–ls^(2)np,ls^(2)2p–ls^(2)nd and ls^(2)3d-ls^(2)nf transitions for lithium atom are cal...The excitation energies of the excited states ls^(2)nl(l=s,p,d,and f,and 6≤n≤9)and the dipole oscillator strengths of the 1s22s–ls^(2)np,ls^(2)2p–ls^(2)nd and ls^(2)3d-ls^(2)nf transitions for lithium atom are calculated by using the full core plus correlation method.展开更多
Doubly excited intrashell 2p^(2)^(3)P^(e)tates in heliumlike N^(6+)and O^(6+)ions are calculated by using the original Slater-type wave function and the modified configuration interaction wave function.Using the modif...Doubly excited intrashell 2p^(2)^(3)P^(e)tates in heliumlike N^(6+)and O^(6+)ions are calculated by using the original Slater-type wave function and the modified configuration interaction wave function.Using the modified Slater-type wave function having up to 393 and 276 terims for N^(6+)and O^(6+),we predicted the energy positions of thediscrete 2p^(2)^(3)P^(e)states for these two heliumlike ions.They are-11.140748676 a.u.and-14.726670741 a.u.,respectively.Several expectation values ofγ^(n)_(i)andγ^(m)_(12)(-1≤n≤1,and-1≤m≤2)are also given in the presentletter.The present results indicate that the modified Slater-type wave function in which r<and rx coordinatesare incorporated is effective and powerful for the description of the 2p^(2)^(3)P^(e)state showing strong correlationeffect in two-electron systems.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No.19474016the State Education Commission of China。
文摘By using the full core plus correlation method recently developed,the accurately analytical charge densities for the lithium-like systems(Z=3-8)are obtained.The convergence pattern of the charge densities is analyzed.The electron-nuclear cusp condition is calculated for these systems.Also,at the region far from the nucleus,the behavior of the electron density is examined.The present calculations show that the wave functions used in this work can give the satisfactory and self-consistent results in full configuration space.
基金Supported by the National Natural Science Foundation of China under Grant No.19474016,the State Education Commission of China,and the National Laboratory for Theoretical Chemistry Computation,Jilin University,China。
文摘The excitation energies of the excited states ls^(2)nl(l=s,p,d,and f,and 6≤n≤9)and the dipole oscillator strengths of the 1s22s–ls^(2)np,ls^(2)2p–ls^(2)nd and ls^(2)3d-ls^(2)nf transitions for lithium atom are calculated by using the full core plus correlation method.
基金Supported by the National Natural Science Foundation of China under Grant No.19874048the Natural Science Foundationof Guangdong Frovince under Grant No.994580.
文摘Doubly excited intrashell 2p^(2)^(3)P^(e)tates in heliumlike N^(6+)and O^(6+)ions are calculated by using the original Slater-type wave function and the modified configuration interaction wave function.Using the modified Slater-type wave function having up to 393 and 276 terims for N^(6+)and O^(6+),we predicted the energy positions of thediscrete 2p^(2)^(3)P^(e)states for these two heliumlike ions.They are-11.140748676 a.u.and-14.726670741 a.u.,respectively.Several expectation values ofγ^(n)_(i)andγ^(m)_(12)(-1≤n≤1,and-1≤m≤2)are also given in the presentletter.The present results indicate that the modified Slater-type wave function in which r<and rx coordinatesare incorporated is effective and powerful for the description of the 2p^(2)^(3)P^(e)state showing strong correlationeffect in two-electron systems.
