Due to an error in the implementation of the exchange functional C09x1 in version 2.0.1 of LIBXC,2 the results obtained with the C09x-vdW functional reported in Tables II and III and Figs. 1–5 of Ref. 3 are wrong. The results obtained with the correct implementation of C09x are shown in Tables I and II. The main change in the conclusion is the overall better agreement with the reference results for the bond lengths R0 of the dimers and lattice constants a0 of the solids.
Equilibrium bond length R0 (in Å) and interaction energy ΔE (in meV and with opposite sign) of rare-gas dimers calculated from the C09x-vdW functional.
| . | He2 . | Ne2 . | Ar2 . | Kr2 . | ||||
|---|---|---|---|---|---|---|---|---|
| Functional . | R0 . | ΔE . | R0 . | ΔE . | R0 . | ΔE . | R0 . | ΔE . |
| C09x-vdW | 3.11 | 3.8 | 3.32 | 7.4 | 4.05 | 14.6 | 4.33 | 18.0 |
| . | He2 . | Ne2 . | Ar2 . | Kr2 . | ||||
|---|---|---|---|---|---|---|---|---|
| Functional . | R0 . | ΔE . | R0 . | ΔE . | R0 . | ΔE . | R0 . | ΔE . |
| C09x-vdW | 3.11 | 3.8 | 3.32 | 7.4 | 4.05 | 14.6 | 4.33 | 18.0 |
Equilibrium lattice constant a0 (in Å) and cohesive energy ΔE (in meV/atom and with opposite sign) of rare-gas solids calculated from the C09x-vdW functional.
| . | Ne . | Ar . | Kr . | |||
|---|---|---|---|---|---|---|
| Functional . | a0 . | ΔE . | a0 . | ΔE . | a0 . | ΔE . |
| C09x-vdW | 4.50 | 62 | 5.33 | 128 | 5.64 | 163 |
| . | Ne . | Ar . | Kr . | |||
|---|---|---|---|---|---|---|
| Functional . | a0 . | ΔE . | a0 . | ΔE . | a0 . | ΔE . |
| C09x-vdW | 4.50 | 62 | 5.33 | 128 | 5.64 | 163 |
