Para-ortho isomerization of H2+. Non-Born-Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions

Para-ortho isomerization of H2+. Non-Born-Oppenheimer direct variational calculations with explicitly correlated all-particle Gaussian functions

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 621, 4 February 2015, Pages 134-140

Nikita Kirnosov, Keeper L. Sharkey, Ludwik Adamowicz,