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Browsing School of Science and Technology (2015-2019) by Subject "Born-Oppenheimer approximation"
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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 ...
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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 ...
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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 ...
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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 ...
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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 ...
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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 ...
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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 ...