(1s 2 4p 1 ) 2 P S 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4p- electron | |
| 1 | 2p | 6.944024 | .45054119 |
| 2 | 3p | 3.587197 | -1.02608349 |
| 3 | 5p | 3.754444 | 1.74341744 |
| 4 | 4p | 5.197223 | -.49615315 |
| 5 | 5p | 10.143938 | .02564482 |
| 6 | 4p | 22.432134 | -.00366913 |
| 7 | 5p | 3.076388 | .04916578 |
| 8 | 5p | 47.742253 | -.00013892 |
| 9 | 3p | 36.191513 | -.00031182 |
| ORB.ENERGY,a.u. | -6.178400 | ||
| NORM | 1.000001 | < R > | 1.630201 | < R2 > | 3.014767 | < 1/R > | .884187 | < 1/R**2 > | 2.118189 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.407644 | .93840854 |
| 2 | 1s | 24.185419 | .04966770 |
| 3 | 2s | 18.672329 | .01692447 |
| 4 | 3s | 17.028424 | .00070610 |
| 5 | 4s | 26.270286 | -.00082918 |
| 6 | 5s | 34.788355 | .00030304 |
| 7 | 3s | 41.207400 | -.00049935 |
| ORB.ENERGY,a.u. | -117.540000 |
| NORM | 1.000000 | < R > | .096027 | < R2 > | .012333 | < 1/R > | 15.684786 | < 1/R**2 > | 494.663629 |
Total Energy= -252.28159668 a.u.
Kinetic Energy= 252.28159812 a.u.
Potential Energy= -504.56319480 a.u.
Virial Ratio = -1.99999999