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Browsing School of Science and Technology (2015-2019) by Subject "Non-Born–Oppenheimer calculations"
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Cafiero, Mauricio; Bubin, Sergiy; Adamowicz, Ludwik
(2003)
We review a recent development in high-accuracy non-Born–Oppenheimer calculations of atomic and
molecular systems in a basis of explicitly correlated Gaussian functions. Much of the recent progress in this area
is due ...
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Pavanello, Michele; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik
(2005)
Very accurate calculations of the pure vibrational spectrum of the HeH+ ion are reported. The
method used does not assume the Born–Oppenheimer approximation, and the motion of both the
electrons and the nuclei are treated ...