Isotope shift in the electron affinity of lithium

Journal Article · Mon Dec 21 04:00:00 EST 2009 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3275804· OSTI ID:21559823

Bubin, Sergiy ^[1]; Komasa, Jacek ^[2]; Stanke, Monika ^[3]; Adamowicz, Ludwik ^[4]

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1. Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States)
2. Quantum Chemistry Group, Faculty of Chemistry, A. Mickiewicz University, ulica Grunwaldzka 6, 60-780 Poznan (Poland)
3. Institute of Physics, Nicholas Copernicus University, ulica Grudziadzka 5, PL 87-100 Torun (Poland)
4. Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 (United States)

Very accurate electron affinity (EA) calculations of {sup 6}Li and {sup 7}Li (and {sup {infinity}L}i) have been performed using explicitly correlated Gaussian functions and a variational approach that explicitly includes the nuclear motion in the calculations (i.e., the approach that does not assume the Born-Oppenheimer approximation). The leading relativistic and quantum electrodynamics corrections to the electron affinities were also calculated. The results are the most accurate theoretical values obtained for the studied systems to date. Our best estimates of the {sup 7}Li and {sup 6}Li EAs are 4984.9842(30) and 4984.9015(30) cm{sup -1}, respectively, and of the {sup 7}Li/{sup 6}Li EA isotope shift is 0.0827 cm{sup -1}.

• OSTI ID: 21559823
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 23 Vol. 131; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
74 ATOMIC AND MOLECULAR PHYSICS
AFFINITY
ALKALI METALS
APPROXIMATIONS
BORN-OPPENHEIMER APPROXIMATION
CALCULATION METHODS
ELECTRODYNAMICS
ELEMENTS
ENERGY RANGE
FIELD THEORIES
FUNCTIONS
GAUSS FUNCTION
ISOTOPES
LIGHT NUCLEI
LITHIUM
LITHIUM 6
LITHIUM 7
LITHIUM ISOTOPES
METALS
NUCLEI
ODD-EVEN NUCLEI
ODD-ODD NUCLEI
QUANTUM ELECTRODYNAMICS
QUANTUM FIELD THEORY
RELATIVISTIC RANGE
SPECTRAL SHIFT
STABLE ISOTOPES
VARIATIONAL METHODS