Table 4.
The comparative atomic Mulliken electronegativities, in electron-volts (eV) [100].
| Z | Element | Mulliken-Jaffe, Ref. [112, 113] | Experiment, Ref. [73, 77] | Xα, Ref. [114] | Density Functional of Equation (400) |
|
|---|---|---|---|---|---|---|
| Path Integral | s-Basis Set | |||||
| 3 | Li | 1.8 | 3.01 | 2.58 | 4.11 | 3.02 |
| 4 | Be | 4.8 | 4.9 | 3.80 | 5.64 | 3.40 |
| 5 | B | 5.99 | 4.29 | 3.40 | 5.72 | 5.66 |
| 6 | C | 8.59 | 6.27 | 5.13 | 8.56 | 8.58 |
| 7 | N | 11.21 | 7.27 | 6.97 | 10.13 | 9.77 |
| 8 | O | 14.39 | 7.53 | 8.92 | 11.87 | 12.41 |
| 9 | F | 12.18 | 10.41 | 11.0 | 13.13 | 15.60 |
| 10 | Ne | 13.29 | - | 10.31 | 13.39 | 13.37 |
| 11 | Na | 1.6 | 2.85 | 2.32 | 3.16 | 2.64 |
| 12 | Mg | 4.09 | 3.75 | 3.04 | 4.52 | 3.93 |
| 13 | Al | 5.47 | 3.21 | 2.25 | 5.80 | 5.89 |
| 14 | Si | 7.30 | 4.76 | 3.60 | 6.56 | 6.80 |
| 15 | P | 8.90 | 5.62 | 5.01 | 9.04 | 8.33 |
| 16 | S | 10.14 | 6.22 | 6.52 | 10.09 | 11.88 |
| 17 | Cl | 9.38 | 8.30 | 8.11 | 10.64 | 14.59 |
| 18 | Ar | 9.87 | - | 7.11 | 10.12 | 12.55 |
| 19 | K | 2.90 | 2.42 | 1.92 | 3.15 | 2.48 |
| 20 | Ca | 3.30 | 2.2 | 1.86 | 4.21 | 2.19 |
| 21 | Sc | 4.66 | 3.34 | 2.52 | 2.93 | 1.83 |
| 22 | Ti | 5.2 | 3.45 | 3.05 | 3.52 | 2.28 |
| 23 | V | 5.47 | 3.6 | 3.33 | 4.19 | 2.42 |
| 24 | Cr | 5.56 | 3.72 | 3.45 | 5.23 | 2.72 |
| 25 | Mn | 5.23 | 3.72 | 4.33 | 6.02 | 2.01 |
| 26 | Fe | 6.06 | 4.06 | 4.71 | 5.96 | 3.90 |
| 27 | Co | 6.21 | 4.3 | 3.76 | 6.01 | 3.03 |
| 28 | Ni | 6.30 | 4.40 | 3.86 | 6.12 | 3.48 |
| 29 | Cu | 6.27 | 4.48 | 3.95 | 6.35 | 2.91 |
| 30 | Zn | 5.53 | 4.45 | 3.66 | 5.07 | 3.13 |
| 31 | Ga | 6.02 | 3.2 | 2.11 | 3.49 | 3.30 |
| 32 | Ge | 6.4 | 4.6 | 3.37 | 5.45 | 4.24 |
| 33 | As | 6.63 | 5.3 | 4.63 | 4.87 | 4.94 |
| 34 | Se | 7.39 | 5.89 | 5.91 | 7.71 | 4.82 |
| 35 | Br | 8.40 | 7.59 | 7.24 | 7.75 | 7.35 |
| 36 | Kr | 8.86 | - | 6.18 | 8.65 | 9.59 |
| 37 | Rb | 2.09 | 2.34 | 1.79 | 1.56 | 1.05 |
| 38 | Sr | 3.14 | 2.0 | 1.75 | 2.87 | 1.63 |
| 39 | Y | 4.25 | 3.19 | 2.25 | 3.33 | 1.76 |
| 40 | Zr | 4.57 | 3.64 | 3.01 | 3.92 | 1.73 |
| 41 | Nb | 5.38 | 4.0 | 3.26 | 4.77 | 1.68 |
| 42 | Mo | 7.04 | 3.9 | 3.34 | 5.59 | 2.07 |
| 43 | Tc | 6.27 | - | 4.58 | 5.57 | 1.96 |
| 44 | Ru | 7.16 | 4.5 | 3.45 | 5.91 | 1.93 |
| 45 | Rh | 7.4 | 4.3 | 3.49 | 6.23 | 1.72 |
| 46 | Pd | 7.16 | 4.45 | 3.52 | 6.46 | 1.98 |
| 47 | Ag | 6.36 | 4.44 | 3.55 | 6.47 | 2.18 |
| 48 | Cd | 5.64 | 4.43 | 3.35 | 5.26 | 2.36 |
| 49 | In | 5.22 | 3.1 | 2.09 | 5.38 | 2.48 |
| 50 | Sn | 6.96 | 4.30 | 3.20 | 5.75 | 2.74 |
| 51 | Sb | 7.36 | 4.85 | - | 5.44 | 6.29 |
| 52 | Te | 7.67 | 5.49 | 5.35 | 6.35 | 4.98 |
| 53 | I | 8.10 | 6.76 | 6.45 | 7.12 | 6.70 |
| 54 | Xe | 7.76 | - | 5.36 | 7.80 | 6.27 |