Dimer | Value | Our Approach | FHI96md Code |
Na2 | d | 3.3 | 3.28 |
Eb | 0.1 | 0.08 | |
Mg2 | d | 3.0 | 3.62 |
Eb | 0.6 | 0.18 | |
Al2 | d | 2.4 | 2.61 |
Eb | 1.5 | 1.61 | |
Si2 | d | 2.3 | 2.20 |
Eb | 3.2 | 3.25 | |
P2 | d | 2.1 | 1.90 |
Eb | 5.4 | 5.04 | |
S2 | d | 2.2 | 1.93 |
Eb | 7.3 | 3.41 | |
Cl2 | d | 2.2 | 2.00 |
Eb | 9.5 | 1.97 |