Browsing Articles by Subject "quantum-mechanical calculations"

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Accuracy limits on the description of the lowest S excitation in the Li atom using explicitly correlated Gaussian basis functions

Stanke, Monika; Komasa, Jacek; Kedziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik (2008)

We have performed very accurate quantum-mechanical calculations for the two lowest S states of the lithium atom in order to determine the transition energy. In the nonrelativistic part of the calculations performed ...
Prediction of 2S Rydberg energy levels of 6Li and 7Li based on quantum-mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, Sergiy; Adamowicz, Ludwik (2013)

Accurate variational quantum-mechanical calculations are performed for the nine lowest 2S (1s2ns), n = 2, . . . ,10 states of the lithium atom. The effect of the finite nuclear mass is explicitly included in the ...