On the binding energy of the ground stat
β
I. RΓΆeggen; K. Morokumi; K. Yamashita
π
Article
π
1987
π
Elsevier Science
π
English
β 525 KB
The binding energy of the beryllium dimer in the ground state is calculated by an extended geminal model. Compared with a full CI calculation for the valence electrons, adding core-valence intersystem correlation terms yields an increase in the binding energy of approximately 0.28 kcahmole, while co