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Convergence studies of atomic properties from variational methods: total energy, ionization energy, specific mass shift, and hyperfine parameters for Li
- Tong, M (author)
-
- Jönsson, Per (author)
- Lund University,Lunds universitet,Atomfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Atomic Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
- Fischer, C. F (author)
- (creator_code:org_t)
- 2006-08-24
- 1993
- English.
- In: Physica Scripta. - : IOP Publishing. - 0031-8949 .- 1402-4896. ; 48:4, s. 446-453
- Journal article (peer-reviewed)
Abstract
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- Systematic variational calculations using the multi-configuration Hartree-Fock method for Li are reported. For 1 s 2 2 s 2 S of Li, an nl -expansion is attempted in configuration space, similar to a partial wave expansion for helium-like systems. The total energy, ionization energy, specific mass shift, and hyperfine contact term are calculated with respect to increasing size of the configuration set. A comparison is made with n -expansion in configuration space, which is found to be the more efficient method. The total energy obtained from our variational procedure is lower than that of a previously reported partial wave study on ground state of Li. Similar n -expansion studies are performed for 1 s 2 2 p 2 P . For the latter, the 2 s -2 p transition integrals are reported, showing convergence of the transition energy as well as the length and velocity form of the f -value.
Subject headings
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
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