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Browsing School of Science and Technology (2015-2019) by Subject "non-Born-Oppenheimer variational calculations"
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Bubin, Sergiy; Adamowicz, Ludwik
(2007)
Non-Born-Oppenheimer variational calculations employing explicitly correlated Gaussian basis functions have been performed for the ground states of the beryllium monohydride molecule BeH and its ion BeH+ , as well as ...
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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 ...