Lower Rydberg {sup 2}D states of the lithium atom: Finite-nuclear-mass calculations with explicitly correlated Gaussian functions

Journal Article · Sat Jan 15 04:00:00 EST 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.83.012506· OSTI ID:21529066

Sharkey, Keeper L ^[1]; Bubin, Sergiy ^[2]; Adamowicz, Ludwik ^[1]

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1. Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 (United States)
2. Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States)

Very accurate variational nonrelativistic calculations are performed for the five lowest Rydberg {sup 2}D states (1s{sup 2}nd{sup 1}, n=3,...,7) of the lithium atom ({sup 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. Four thousand Gaussians are used for each state. The calculated relative energies of the states determined with respect to the {sup 2}S 1s{sup 2}2s{sup 1} ground state are systematically lower than the experimental values by about 2.5 cm{sup -1}. As this value is about the same as the difference between the experimental relative energy between {sup 7}Li{sup +} and {sup 7}Li 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.

• OSTI ID: 21529066
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 1 Vol. 83; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CALCULATION METHODS
CHARGED PARTICLES
ELECTRONS
ELEMENTARY PARTICLES
ENERGY LEVELS
ENERGY RANGE
EXCITED STATES
FERMIONS
FUNCTIONS
GAUSS FUNCTION
GROUND STATES
IONS
ISOTOPES
LEPTONS
LIGHT NUCLEI
LITHIUM 7
LITHIUM IONS
LITHIUM ISOTOPES
NUCLEI
ODD-EVEN NUCLEI
RELATIVISTIC RANGE
RYDBERG STATES
STABLE ISOTOPES
VARIATIONAL METHODS
WAVE FUNCTIONS