### Abstract

Very accurate variational nonrelativistic calculations are performed for the five lowest Rydberg 2D states (1s2nd1, n=3,...,7) of the lithium atom (Li7). The finite-nuclear-mass approach is employed and the wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian function. Four thousand Gaussians are used for each state. The calculated relative energies of the states determined with respect to the 2S 1s22s1 ground state are systematically lower than the experimental values by about 2.5 cm⊃-1. As this value is about the same as the difference between the experimental relative energy between Li7⊃+ and Li7 in their ground-state energy and the corresponding calculated nonrelativistic relative energy, we attribute it to the relativistic effects not included in the present calculations.

Original language | English |
---|---|

Article number | 012506 |

Journal | Physical Review A - Atomic, Molecular, and Optical Physics |

Volume | 83 |

Issue number | 1 |

DOIs | |

Publication status | Published - 2011 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

*Physical Review A - Atomic, Molecular, and Optical Physics*,

*83*(1), [012506]. https://doi.org/10.1103/PhysRevA.83.012506

**Lower Rydberg 2D states of the lithium atom : Finite-nuclear-mass calculations with explicitly correlated Gaussian functions.** / Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik.

Research output: Contribution to journal › Article

*Physical Review A - Atomic, Molecular, and Optical Physics*, vol. 83, no. 1, 012506. https://doi.org/10.1103/PhysRevA.83.012506

}

TY - JOUR

T1 - Lower Rydberg 2D states of the lithium atom

T2 - Finite-nuclear-mass calculations with explicitly correlated Gaussian functions

AU - Sharkey, Keeper L.

AU - Bubin, Sergiy

AU - Adamowicz, Ludwik

PY - 2011

Y1 - 2011

N2 - Very accurate variational nonrelativistic calculations are performed for the five lowest Rydberg 2D states (1s2nd1, n=3,...,7) of the lithium atom (Li7). The finite-nuclear-mass approach is employed and the wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian function. Four thousand Gaussians are used for each state. The calculated relative energies of the states determined with respect to the 2S 1s22s1 ground state are systematically lower than the experimental values by about 2.5 cm⊃-1. As this value is about the same as the difference between the experimental relative energy between Li7⊃+ and Li7 in their ground-state energy and the corresponding calculated nonrelativistic relative energy, we attribute it to the relativistic effects not included in the present calculations.

AB - Very accurate variational nonrelativistic calculations are performed for the five lowest Rydberg 2D states (1s2nd1, n=3,...,7) of the lithium atom (Li7). The finite-nuclear-mass approach is employed and the wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian function. Four thousand Gaussians are used for each state. The calculated relative energies of the states determined with respect to the 2S 1s22s1 ground state are systematically lower than the experimental values by about 2.5 cm⊃-1. As this value is about the same as the difference between the experimental relative energy between Li7⊃+ and Li7 in their ground-state energy and the corresponding calculated nonrelativistic relative energy, we attribute it to the relativistic effects not included in the present calculations.

UR - http://www.scopus.com/inward/record.url?scp=78651328472&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78651328472&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.83.012506

DO - 10.1103/PhysRevA.83.012506

M3 - Article

VL - 83

JO - Physical Review A

JF - Physical Review A

SN - 1050-2947

IS - 1

M1 - 012506

ER -