Dimer | Value | Our Approach | FHI96md Code |
K2 | d | 4.3 | 4.28 |
Eb | 0.1 | 0.08 | |
Ca2 | d | 2.4 | 1.9 |
Eb | 4.00 | 0.08 | |
Ga2 | d | 2.7 | 2.67 |
Eb | 1.0 | 0.93 | |
Ge2 | d | 2.3 | 2.28 |
Eb | 2.6 | 2.36 | |
As2 | d | 2.2 | 2.07 |
Eb | 5.0 | 4.12 | |
Se2 | d | 2.2 | 2.18 |
Eb | 6.4 | 2.80 | |
Br2 | d | 2.3 | 2.11 |
Eb | 7.2 | 3.57 |