Browsing Articles by Subject "non-Born-Oppenheimer calculations"

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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 ...
Non-Born-Oppenheimer variational calculation of the ground-state vibrational spectrum of LiH+

Bubin, Sergiy; Adamowicz, Ludwik (2006)

Very accurate, rigorous, variational, non-Born-Oppenheimer non-BO calculations have been performed for the fully symmetric, bound states of the LiH+ ion. These states correspond to the ground and excited vibrational ...