TY - JOUR
T1 - The 2S Rydberg series of the lithium atom. Calculations with all-electron explicitly correlated Gaussian functions
AU - Bralin, Amir
AU - Bubin, Sergiy
AU - Stanke, Monika
AU - Adamowicz, Ludwik
N1 - Funding Information:
A.B. acknowledges support from the Shakhmardan Yessenov Foundation. S.B. acknowledges funding from MESRK state-targeted program BR05236454 and NU faculty development grant 090118FD5345. The work of M.S has been supported by the Polish National Science Centre, grant DEC-2013/10/E/ST4/00033. The authors are grateful to Prof. Gordon W. F. Drake (University of Windsor) for useful discussions. The authors are also grateful to the University of Arizona Research Computing and Nazarbayev University Library and IT Services for providing computational resources for this work.
Funding Information:
A.B. acknowledges support from the Shakhmardan Yessenov Foundation . S.B. acknowledges funding from MESRK state-targeted program BR05236454 and NU faculty development grant 090118FD5345 . The work of M.S has been supported by the Polish National Science Centre , grant DEC-2013/10/E/ST4/00033 . The authors are grateful to Prof. Gordon W. F. Drake (University of Windsor) for useful discussions. The authors are also grateful to the University of Arizona Research Computing and Nazarbayev University Library and IT Services for providing computational resources for this work.
Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/9
Y1 - 2019/9
N2 - In this work we report very accurate variational calculations of the twelve lowest 2S Rydberg states of the lithium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and QED corrections. The calculated transition energies are compared with the previous works (only eight states of the series were calculated before) and with the available experimental results. Density distributions of the electrons and the nucleus in the center-of-mass frame are also shown.
AB - In this work we report very accurate variational calculations of the twelve lowest 2S Rydberg states of the lithium atom performed with the finite-nuclear-mass (FNM) approach and with all-electron explicitly correlated Gaussian functions. The FNM non-relativistic variational energies of the states are augmented with the leading relativistic and QED corrections. The calculated transition energies are compared with the previous works (only eight states of the series were calculated before) and with the available experimental results. Density distributions of the electrons and the nucleus in the center-of-mass frame are also shown.
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U2 - 10.1016/j.cplett.2019.06.051
DO - 10.1016/j.cplett.2019.06.051
M3 - Article
AN - SCOPUS:85067618432
SN - 0009-2614
VL - 730
SP - 497
EP - 505
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -