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Browsing Articles by Author "Stanke, Monika"

Now showing items 1-20 of 26

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 ...
Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of D2 with including relativistic corrections

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

In this work we report very accurate variational calculations of the complete pure vibrational spectrum of the D2 molecule performed within the framework where the Born-Oppenheimer (BO) approximation is not assumed. After ...
Accurate non-Born-Oppenheimer calculations of the complete pure vibrational spectrum of ditritium using all-particle explicitly correlated Gaussian functions

Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik (2014)

Very accurate variational calculations of the complete pure vibrational spectrum of the ditritium (T2) molecule are performed within the framework where the Born-Oppenheimer approximation is not assumed. After separating ...
Charge asymmetry in pure vibrational states of the HD molecule

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

Very accurate variational calculations of all rotationless states also called pure vibrational states of the HD molecule have been performed within the framework that does not assume the Born–Oppenheimer BO approximation. ...
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 non-Born-Oppenheimer variational calculations

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

The Pauli approach to account for the mass-velocity and Darwin relativistic corrections has been applied to the formalism for quantum mechanical molecular calculations that does not assume the Born-Oppenheimer BO ...
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 ...
Electron affinity of 7Li calculated with the inclusion of nuclear motion and relativistic corrections

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

Explicitly correlated Gaussian functions have been used to perform very accurate variational calculations for the ground states of 7Li and 7Li−. The nuclear motion has been explicitly included in the calculations i.e., ...
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 ...
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 ...
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 ...
Isotope shift in the electron affinity of lithium

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

Very accurate electron affinity EA calculations of 6Li and 7Li and Li have been performed using explicitly correlated Gaussian functions and a variational approach that explicitly includes the nuclear motion in the ...
Isotope shifts of the 1s22s2(1S0)→1s22 p2(1S0) transition in the doubly ionized carbon ion C2+

Bubin, Sergiy; Komasa, Jasek; Stanke, Monika; Adamowicz, Ludwik (2010)

Highly accurate quantum mechanical calculations are performed for the 1s22s2 (1S0)→1s22p2 (1S0) transition energy in the isotopomers of C2+ ion to determine the isotope shifts. Explicitly correlated Gaussian functions and ...
Isotope shifts of the three lowest 1S states of the B+ ion calculated with a finite-nuclear-mass approach and with relativistic and quantum electrodynamics corrections

Bubin, Sergiy; Komasa, Jasek; Stanke, Monika; Adamowicz, Ludwik (2010)

We present very accurate quantum mechanical calculations of the three lowest S-states 1s22s2 1S0 , 1s22p2 1S0 , and 1s22s3s 1S0 of the two stable isotopes of the boron ion, 10B+ and 11B+. At the nonrelativistic level ...
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 ...
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 ...
Non-Born–Oppenheimer calculations of the BH molecule

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

Variational calculations employing explicitly correlated Gaussian basis functions have been performed for the ground state of the boron monohydride molecule BH and for the boron atom B . Up to 2000 Gaussians were used ...