Nonvariational calculation of eigenenergies for3S states of helium-like systems
Yixuan Wang, C. Deng
Feb 1, 1997
Citations
1
Citations
Journal
Chinese Science Bulletin
Full text
Semantic Scholar
Key Takeaway Key Takeaway: The CFHHGLF method effectively calculates eigenenergies for ground states and low-lying singlet excited states of helium-like systems, with potential applications in 3S states.
Abstract
COMPARED with the popular hyperspherical coordinate scheme, the HHGLF method proposed by Deng and others has the advantages of rapid hyperradial convergence, analytical solution and huge basis set calculationr'' 21. However, the problem of slow convergence in the hyperangle part still exists as other hyperspherical harmonics (HH) methods do. To solve the problem, we employed the idea of correlation function (CF), and modified the HHGLF into CFHHGLF Because CF describes partially the characteristics of the real wave function, HH expansion would easily simulate the remaining part. CFHHGLF has been successfully applied to the ground states of the helium-like systems, as well as that of the low-lying singlet excited states with the same symmetry as that of the ground state, the eigenenergies of which agree with the variational valuesL3* 4 1 . By using the symmetric bases of the two-dimensional irreducible representation for the permutation group 3~ to replace HH, the eigenenergy of the ground lithium atom ( 12S) from CFHHGLF approaches the variational value. In this note, we try to apply the CFHHGLF method to the 3~ states of the helium-like systems to further verify the precision and application of the CFHHGLF.