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Browsing Articles by Subject "Non-Born–Oppenheimer calculations"

Browsing Articles by Subject "Non-Born–Oppenheimer calculations"

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  • Non-Born–Oppenheimer calculations of atoms and molecules 
    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 ...
  • Non-Born–Oppenheimer calculations of the pure vibrational spectrum of HeH+ 
    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 ...