dorsal/arxiv
View SchemaStudies of Lanthanides 6s Ionization Energy
| Authors | G. Gaigalas, Z. Rudzikas, T. Zalandauskas |
|---|---|
| Categories | |
| ArXiv ID | physics/0411043 |
| URL | https://arxiv.org/abs/physics/0411043 |
| Journal | Lithuanian Journal of Physics 44 (2004) 249-257 |
Abstract
This work is aimed at the multi-configuration Hartree-Fock calculations of the 6s ionization energies of lanthanides with configurations [Xe]4f^{N}6s^{2}. Authors have used the ATSP MCHF version in which there are new codes for calculation of spin-angular parts of matrix elements of the operators of intraatomic interactions written on the basis of the methodology Gaigalas, Rudzikas and Froese Fischer, based on the second quantization in coupled tensorial form, the angular momentum theory in 3 spaces (orbital, spin and quasispin), graphical technique of spin-angular integrations and reduced coefficients (subcoefficients) of fractional parentage. This methodology allows us to study the configurations with open f-shells without any restrictions, thus providing the possibility to investigate heavy atoms and ions as well as to obtain reasonably accurate values of spectroscopic data for such complex many-electron systems.
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"abstract": "This work is aimed at the multi-configuration Hartree-Fock calculations of\nthe 6s ionization energies of lanthanides with configurations [Xe]4f^{N}6s^{2}.\nAuthors have used the ATSP MCHF version in which there are new codes for\ncalculation of spin-angular parts of matrix elements of the operators of\nintraatomic interactions written on the basis of the methodology Gaigalas,\nRudzikas and Froese Fischer, based on the second quantization in coupled\ntensorial form, the angular momentum theory in 3 spaces (orbital, spin and\nquasispin), graphical technique of spin-angular integrations and reduced\ncoefficients (subcoefficients) of fractional parentage. This methodology allows\nus to study the configurations with open f-shells without any restrictions,\nthus providing the possibility to investigate heavy atoms and ions as well as\nto obtain reasonably accurate values of spectroscopic data for such complex\nmany-electron systems.",
"arxiv_id": "physics/0411043",
"authors": [
"G. Gaigalas",
"Z. Rudzikas",
"T. Zalandauskas"
],
"categories": [
"physics.atom-ph"
],
"journal_ref": "Lithuanian Journal of Physics 44 (2004) 249-257",
"title": "Studies of Lanthanides 6s Ionization Energy",
"url": "https://arxiv.org/abs/physics/0411043"
},
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