Dimer

Value

Our Approach

FHI96md Code

K₂

d

4.3

4.28

E_b

0.1

0.08

Ca₂

d

2.4

1.9

E_b

4.00

0.08

Ga₂

d

2.7

2.67

E_b

1.0

0.93

Ge₂

d

2.3

2.28

E_b

2.6

2.36

As₂

d

2.2

2.07

E_b

5.0

4.12

Se₂

d

2.2

2.18

E_b

6.4

2.80

Br₂

d

2.3

2.11

E_b

7.2

3.57