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Browsing Articles by Subject "Born-Oppenheimer approximation"

Now showing items 1-7 of 7

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 ...
Complete pure vibrational spectrum of HD calculated without the Born-Oppenheimer approximation and including relativistic corrections

Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik (2011)

All 18 bound pure vibrational levels of the HD molecule have been calculated within the framework that does not assume the Born-Oppenheimer (BO) approximation. The nonrelativistic energies of the states have been corrected ...
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 ...
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 ...
Fundamental vibrational transitions of the 3He 4He+ and 7LiH+ ions calculated without assuming the Born-Oppenheimer approximation and with including leading relativistic corrections

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

Very accurate variational calculations of the fundamental pure vibrational transitions of the 3He 4He+ and 7LiH+ ions are performed within the framework that does not assume the Born-Oppenheimer BO approximation. The ...
Lowest Excitation Energy of 9Be

Stanke, Monika; Kedziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik (2007)

Variational calculations employing explicitly correlated Gaussian functions and explicitly including the nuclear motion [i.e., without assuming the Born-Oppenheimer (BO) approximation] have been performed to determine ...
Orbit-orbit relativistic corrections to the pure vibrational non-Born-Oppenheimer energies of H2

Stanke, Monika; Kedziera, Dariusz; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik (2008)

We report the derivation of the orbit-orbit relativistic correction for calculating pure vibrational states of diatomic molecular systems with electrons within the framework that does not assume the Born-Oppenheimer ...