Table 2 The experimental values of NMD widths of protons, carbon, and nitrogen nuclei for the powder sample of melamine of mass M = 2.298 g contrasted with ab initio predictions from the HLD and AIMD simulations, both obtained from the isotropic Gaussian model of the nuclear momentum distribution.
Nucleus | HLD prediction | AIMD prediction | Isotropic Gaussian fit |
|---|---|---|---|
H | 5.08 | 5.22 | 4.87 ± 0.02 |
C | 13.54 | 14.17 | 9.2 ± 1.8 |
N | 12.97 | 14.17 | 12.7 ± 1.2 |