Relativistic semiempirical-core-potential calculations ofusing Laguerre and Slater spinors
- 23 December 2016
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 94 (6) , 062514
Abstract
A relativistic description of the structure of heavy alkali-metal atoms and alkali-like ions using S-spinors and L-spinors is developed. The core wave function is defined by a Dirac-Fock calculation using an S-spinor basis. The S-spinor basis is then supplemented with a large set of L-spinors for calculation of the valence wave function in a frozen-core model. The numerical stability of the L-spinor approach is demonstrated by computing the energies and decay rates of several low-lying hydrogen eigenstates, along with the polarizabilities of a hydrogenic ion. The approach is then applied to calculate the dynamic polarizabilities of the , and states of . The magic wavelengths at which the Stark shifts between different pairs of transitions are 0 are computed. Determination of the magic wavelengths for the and transitions near 417 nm (near the wavelength for the transitions) would allow determination of the oscillator strength ratio for the and transitions.
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Funding Information
- Australian Research Council (DP1092620, FT100100905)
- National Natural Science Foundation of China (11147018, 11564036, 11304063)
This publication has 66 references indexed in Scilit:
- Polarizability of theSi2+ionPhysical Review A, 2008
- Relativistic Quantum Theory of Atoms and Molecules2007
- Ion properties from high-LRydberg fine structure: dipole polarizability of Si2+Journal of Physics B: Atomic, Molecular and Optical Physics, 2005
- Fine Structure in High-L Rydberg States: A Path to Properties of Positive Ions2005
- Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atomsPhysical Review A, 2003
- Rayleigh-Ritz approximation of the Dirac operator in atomic and molecular physicsPhysical Review A, 2000
- Energy levels and oscillator strengths for neutral calciumJournal of Physics B: Atomic, Molecular and Optical Physics, 1993
- On the accuracy of Dirac-Hartree-Fock calculations using analytic basis setsJournal of Physics B: Atomic, Molecular and Optical Physics, 1989
- Electron-impact excitation of the resonance transition inPhysical Review A, 1988
- Influence of atomic core polarisation on oscillator strengths for2S1/2-2P1/2,3/2and2P1/2,3/2-2D3/2,5/2transitions in Cu I, Ag I and Au I spectraJournal of Physics B: Atomic and Molecular Physics, 1978