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Browsing by Author "Ke¸dziera, Dariusz"

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Complete 2 relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of HeH+

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

We report the implementation of the complete set of the lowest-order relativistic corrections of the order of 2 where is the fine structure constant for calculating vibrational states of diatomic molecular systems within ...
Darwin and mass-velocity relativistic corrections in the non-Born-Oppenheimer calculations of pure vibrational states of H2

Ke¸dziera, Dariusz; Stanke, Monika; Bubin, Sergiy; Barysz, Maria; Adamowicz, Ludwik (2006)

The Darwin and mass-velocity relativistic corrections have been calculated for all pure vibrational states of the H2 using the perturbation theory and very accurate variational wave functions obtained without assuming ...
Improved calculations of the lowest vibrational transitions in HeH+

Bubin, Sergiy; Stanke, Monika; Ke¸dziera, Dariusz; Adamowicz, Ludwik (2007)

More accurate variational calculations of the lowest three pure vibrational states v=0,1,2 of the 4HeH+ molecular ion have been carried out without assuming the Born-Oppenheimer approximation. In the calculations we ...
Ionization potential of 9Be calculated including nuclear motion and relativistic corrections

Stanke, Monika; Ke¸dziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik (2007)

Variational calculations employing explicitly correlated Gaussian functions have been performed for the ground states of 9Be and 9Be+ including the nuclear motion i.e., without assuming the Born-Oppenheimer BO ...
Lowest vibrational states of 4He3He+: Non-Born-Oppenheimer calculations

Stanke, Monika; Ke¸dziera, Dariusz; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik (2007)

Very accurate quantum mechanical calculations of the first five vibrational states of the 4He3He+ molecular ion are reported. The calculations have been performed explicitly including the coupling of the electronic ...
Relativistic corrections to the ground-state energy of the positronium molecule

Bubin, Sergiy; Stanke, Monika; Ke¸dziera, Dariusz; Adamowicz, Ludwik (2007)

The leading-order relativistic corrections to the ground-state energy of the positronium molecule Ps2 have been computed within the framework of perturbation theory. As the zero-order wave function we used a highly ...
Relativistic corrections to the non-Born-Oppenheimer energies of the lowest singlet Rydberg states of 3He and 4He

Stanke, Monika; Ke¸dziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik (2007)

In this work the authors present an approach to calculate the leading-order relativistic corrections for ground and excited states of helium isotopomers. In the calculations they used variational wave functions expanded ...
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 ...