Convergence studies of atomic properties from variational methods: total energy, ionization energy, specific mass shift, and hyperfine parameters for Li
(1993) In Physica Scripta 48(4). p.446-453- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2259619
- author
- Tong, M ; Jönsson, Per LU and Fischer, C. F
- organization
- publishing date
- 1993
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physica Scripta
- volume
- 48
- issue
- 4
- pages
- 446 - 453
- publisher
- IOP Publishing
- external identifiers
-
- scopus:84956095338
- ISSN
- 0031-8949
- DOI
- 10.1088/0031-8949/48/4/009
- language
- English
- LU publication?
- yes
- id
- 6719ba1e-aeb2-4449-b466-1a774be3c178 (old id 2259619)
- date added to LUP
- 2016-04-04 12:05:11
- date last changed
- 2021-03-14 04:05:59
@article{6719ba1e-aeb2-4449-b466-1a774be3c178, abstract = {{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.}}, author = {{Tong, M and Jönsson, Per and Fischer, C. F}}, issn = {{0031-8949}}, language = {{eng}}, number = {{4}}, pages = {{446--453}}, publisher = {{IOP Publishing}}, series = {{Physica Scripta}}, title = {{Convergence studies of atomic properties from variational methods: total energy, ionization energy, specific mass shift, and hyperfine parameters for Li}}, url = {{https://lup.lub.lu.se/search/files/5923938/2297665.pdf}}, doi = {{10.1088/0031-8949/48/4/009}}, volume = {{48}}, year = {{1993}}, }