Refinement of the experimental energy levels of higher {sup 2}D Rydberg states of the lithium atom with very accurate quantum mechanical calculations

Journal Article · Sat May 21 04:00:00 EDT 2011 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3591836· OSTI ID:21560244

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 non-relativistic calculations are performed for four higher Rydberg {sup 2}D states (1s{sup 2}nd{sup 1}, n= 8, ..., 11) of the lithium atom ({sup 7}Li). The wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian functions and finite nuclear mass is used. The exponential parameters of the Gaussians are optimized using the variational method with the aid of the analytical energy gradient determined with respect to those parameters. The results of the calculations allow for refining the experimental energy levels determined with respect to the {sup 2}S 1s{sup 2}2s{sup 1} ground state.

• OSTI ID: 21560244
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 19 Vol. 134; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METALS
ATOMS
CALCULATION METHODS
ELECTRONS
ELEMENTARY PARTICLES
ELEMENTS
ENERGY LEVELS
ENERGY RANGE
EXCITED STATES
FERMIONS
FUNCTIONS
GAUSS FUNCTION
GROUND STATES
ISOTOPES
LEPTONS
LIGHT NUCLEI
LITHIUM
LITHIUM 7
LITHIUM ISOTOPES
MASS
MECHANICS
METALS
NUCLEI
ODD-EVEN NUCLEI
QUANTUM MECHANICS
RELATIVISTIC RANGE
RYDBERG STATES
STABLE ISOTOPES
VARIATIONAL METHODS
WAVE FUNCTIONS