Isotopic shifts in 3P states of the carbon atom
Nasiri S. Bubin S. Adamowicz L.
2024Taylor and Francis Ltd.
Molecular Physics
2024#122Issue 15-16
Isotope shifts in the transition energies between several lowest (Formula presented.) states of the carbon atom are calculated at the nonrelativistic level of theory. We considered the (Formula presented.) C, (Formula presented.) C, and (Formula presented.) C isotopes, for which we performed variational calculations by expanding the wave functions of the atomic states in terms of all-electron explicitly correlated Gaussian functions. The Born–Oppenheimer approximation was not assumed in the calculations. By combining the computed isotope shifts with the experimentally derived Ritz wavelengths for the natural mixture of the isotopes we make predictions of the positions of the spectral lines for specific carbon isotopes. These predictions may be useful for guiding future experimental measurements of these lines using high-resolution spectroscopy.
carbon atom , explicitly correlated Gaussians , Isotope shift , non-Born–Oppenheimer calculations
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Department of Physics, Nazarbayev University, Nur-Sultan, Kazakhstan
Department of Chemistry and Biochemistry, University of Arizona, Tucson, AZ, United States
Department of Physics, University of Arizona, Tucson, AZ, United States
Department of Physics
Department of Chemistry and Biochemistry
Department of Physics
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