Relativistic semiempirical-core-potential calculations in Ca+, Sr+, and Ba+ ions on Lagrange meshes
(2018) In Physical Review A 97(1).- Abstract
- Relativistic atomic structure calculations are carried out in
alkaline-earth-metal ions using a semiempirical-core-potential approach.
The systems are partitioned into frozen-core electrons and an active
valence electron. The core orbitals are defined by a Dirac-Hartree-Fock
calculation using the GRASP2K package. The
valence electron is described by a Dirac-like Hamiltonian involving a
core-polarization potential to simulate the core-valence electron
correlation. The associated equation is solved with the Lagrange-mesh
method, which is an approximate variational approach having the form of a
mesh calculation because of the use of a Gauss quadrature to calculate
matrix elements. Properties... (More) - Relativistic atomic structure calculations are carried out in
alkaline-earth-metal ions using a semiempirical-core-potential approach.
The systems are partitioned into frozen-core electrons and an active
valence electron. The core orbitals are defined by a Dirac-Hartree-Fock
calculation using the GRASP2K package. The
valence electron is described by a Dirac-like Hamiltonian involving a
core-polarization potential to simulate the core-valence electron
correlation. The associated equation is solved with the Lagrange-mesh
method, which is an approximate variational approach having the form of a
mesh calculation because of the use of a Gauss quadrature to calculate
matrix elements. Properties involving the low-lying metastable 2D3/2,5/2 states of Ca+, Sr+, and Ba+ are studied, such as polarizabilities, one- and two-photon decay rates, and
lifetimes. Good agreement is found with other theory and observation,
which is promising for further applications in alkalilike systems. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/434899e8-16ad-41dd-980b-4ea9fba8695a
- author
- Filippin, Livio ; Schiffmann, Sacha LU ; Dohet-Eraly, Jérémy ; Baye, Daniel and Godefroid, Michel
- publishing date
- 2018
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review A
- volume
- 97
- issue
- 1
- article number
- 012506
- pages
- 14 pages
- publisher
- American Physical Society
- external identifiers
-
- scopus:85042000252
- ISSN
- 2469-9926
- DOI
- 10.1103/PhysRevA.97.012506
- language
- English
- LU publication?
- no
- id
- 434899e8-16ad-41dd-980b-4ea9fba8695a
- date added to LUP
- 2021-04-01 13:38:20
- date last changed
- 2022-03-19 00:23:48
@article{434899e8-16ad-41dd-980b-4ea9fba8695a, abstract = {{Relativistic atomic structure calculations are carried out in <br> alkaline-earth-metal ions using a semiempirical-core-potential approach.<br> The systems are partitioned into frozen-core electrons and an active <br> valence electron. The core orbitals are defined by a Dirac-Hartree-Fock <br> calculation using the GRASP2K package. The <br> valence electron is described by a Dirac-like Hamiltonian involving a <br> core-polarization potential to simulate the core-valence electron <br> correlation. The associated equation is solved with the Lagrange-mesh <br> method, which is an approximate variational approach having the form of a<br> mesh calculation because of the use of a Gauss quadrature to calculate <br> matrix elements. Properties involving the low-lying metastable <sup>2</sup><i>D</i><sub>3/2,5/2</sub> states of Ca<sup>+</sup>, Sr<sup>+</sup>, and Ba<sup>+</sup> are studied, such as polarizabilities, one- and two-photon decay rates, and <br> lifetimes. Good agreement is found with other theory and observation, <br> which is promising for further applications in alkalilike systems.}}, author = {{Filippin, Livio and Schiffmann, Sacha and Dohet-Eraly, Jérémy and Baye, Daniel and Godefroid, Michel}}, issn = {{2469-9926}}, language = {{eng}}, number = {{1}}, publisher = {{American Physical Society}}, series = {{Physical Review A}}, title = {{Relativistic semiempirical-core-potential calculations in Ca<sup>+</sup>, Sr<sup>+</sup>, and Ba<sup>+</sup> ions on Lagrange meshes}}, url = {{http://dx.doi.org/10.1103/PhysRevA.97.012506}}, doi = {{10.1103/PhysRevA.97.012506}}, volume = {{97}}, year = {{2018}}, }