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Browsing 01.NU Schools by Subject "quantum mechanical calculations"

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Convergence of Experiment and Theory on the Pure Vibrational Spectrum of HeH

Stanke, Monika; Kedziera, Dariusz; Molski, Marcin; Bubin, Sergiy; Barysz, Maria; Adamowicz, Ludwik (2006)

Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH molecular ion are reported and compared with newly obtained pure vibrational transitions extracted from the available experimental ...
Five lowest 1S states of the Be atom calculated with a finite-nuclear-mass approach and with relativistic and QED corrections

Stanke, Monika; Komasa, Jacek; Bubin, Sergiy; Adamowicz, Ludwik (2009)

We have performed very accurate quantum mechanical calculations of the five lowest S states of the beryllium atom. In the nonrelativistic part of the calculations we used the variational method and we explicitly included ...
Prediction of 2D Rydberg energy levels of 6Li and 7Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions

Bubin, Sergiy; Sharkey, Keeper L.; Adamowicz, Ludwik (2013)

Very accurate variational nonrelativistic finite-nuclear-mass calculations employing all-electron explicitly correlated Gaussian basis functions are carried out for six Rydberg 2D states (1s2nd, n= 6, . . . , 11) of the ...
Refinement of the experimental energy levels of higher 2D Rydberg states of the lithium atom with very accurate quantum mechanical calculations

Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik (2011)

Very accurate variational non-relativistic calculations are performed for four higher Rydberg 2D states (1s2nd1, n = 8, . . . , 11) of the lithium atom (7Li). The wave functions of the states are expanded in terms of ...
Three lowest S states of 9Be+ calculated with including nuclear motion and relativistic and QED corrections

Stanke, Monika; Komasa, Jacek; Ke¸dziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik (2008)

We have performed high-accuracy quantum mechanical calculations for the three lowest S states of the beryllium ion 9Be+ . The nonrelativistic part of the calculations was done with the variational approach and explicitly ...