### Abstract

Variational non-relativistic calculations are performed for the four lowest Rydberg ^{2}F states (1s^{2}nf, n = 4,., 7) of the main isotope of the lithium atom (^{7}Li). 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. A total of 140 Gaussians are used for each state. The calculated relative energy of the two lowest states is compared with the experimental value, which is the only value available in the literature. The two results agree within a few wavenumbers.

Original language | English (US) |
---|---|

Pages (from-to) | 805-808 |

Number of pages | 4 |

Journal | Molecular Physics |

Volume | 112 |

Issue number | 5-6 |

DOIs | |

State | Published - Mar 19 2014 |

### Fingerprint

### Keywords

- Electron correlation
- Explicitly correlated Gaussian
- Internal Hamiltonian
- Lithium
- Non-Born-Oppenheimer

### ASJC Scopus subject areas

- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Biophysics
- Molecular Biology

### Cite this

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

Research output: Contribution to journal › Article

^{2}F states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions',

*Molecular Physics*, vol. 112, no. 5-6, pp. 805-808. https://doi.org/10.1080/00268976.2013.863404

}

TY - JOUR

T1 - Lower Rydberg 2 F states of the lithium atom

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

AU - Sharkey, Keeper L.

AU - Adamowicz, Ludwik

PY - 2014/3/19

Y1 - 2014/3/19

N2 - Variational non-relativistic calculations are performed for the four lowest Rydberg 2F states (1s2nf, n = 4,., 7) of the main isotope of the lithium atom (7Li). 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. A total of 140 Gaussians are used for each state. The calculated relative energy of the two lowest states is compared with the experimental value, which is the only value available in the literature. The two results agree within a few wavenumbers.

AB - Variational non-relativistic calculations are performed for the four lowest Rydberg 2F states (1s2nf, n = 4,., 7) of the main isotope of the lithium atom (7Li). 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. A total of 140 Gaussians are used for each state. The calculated relative energy of the two lowest states is compared with the experimental value, which is the only value available in the literature. The two results agree within a few wavenumbers.

KW - Electron correlation

KW - Explicitly correlated Gaussian

KW - Internal Hamiltonian

KW - Lithium

KW - Non-Born-Oppenheimer

UR - http://www.scopus.com/inward/record.url?scp=84895925985&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84895925985&partnerID=8YFLogxK

U2 - 10.1080/00268976.2013.863404

DO - 10.1080/00268976.2013.863404

M3 - Article

AN - SCOPUS:84895925985

VL - 112

SP - 805

EP - 808

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 5-6

ER -