Variational calculations employing explicitly correlated Gaussian functions have been performed for the ground states of Be9 and Be+9 including the nuclear motion [i.e., without assuming the Born-Oppenheimer (BO) approximation]. An approach based on the analytical energy gradient calculated with respect to the Gaussian exponential parameters was employed, leading to energies of the two systems noticeably improved over those found in the recent paper of Pachucki and Komasa. The non-BO wave functions were used to calculate the α2 relativistic corrections (α= e2c). With those corrections and the α3 and α4 corrections taken from Pachucki and Komasa, a new value of the ionization potential (IP) of Be9 was determined. It agrees very well with the most recent experimental IP.
|Original language||English (US)|
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|State||Published - May 31 2007|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics