(1s 2 2s 2 2p 6 4s 1 ) 2 S S 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 12.891591 | .07880390 |
| 2 | 2s | 5.256688 | -.30820432 |
| 3 | 3s | 2.233926 | 1.22761732 |
| 4 | 4s | 1.821396 | -1.74643900 |
| 5 | 5s | 3.830140 | .13719110 |
| 6 | 5s | 17.256100 | -.00358419 |
| 7 | 2s | 10.113665 | -.00007280 |
| 8 | 3s | 64.543078 | -.00001251 |
| ORB.ENERGY,a.u. | -1.575900 | ||
| NORM | 1.000001 | < R > | 2.880364 | < R2 > | 9.322072 | < 1/R > | .484454 | < 1/R**2 > | 1.849029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.747368 | .46201048 |
| 2 | 3p | 6.940197 | .47325317 |
| 3 | 5p | 5.465069 | .02264103 |
| 4 | 4p | 5.950812 | .14543239 |
| 5 | 2p | 16.222785 | .00636464 |
| 6 | 5p | 31.912981 | -.00031124 |
| 7 | 3p | 4.640368 | -.00348041 |
| 8 | 3p | 47.230263 | .00011895 |
| 9 | 2p | 58.530967 | .00003770 |
| 10 | 5p | 1.917834 | -.00009470 |
| ORB.ENERGY,a.u. | -9.498700 | ||
| NORM | 1.000000 | < R > | .436332 | < R2 > | .235987 | < 1/R > | 2.977270 | < 1/R**2 > | 12.363273 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.989906 | .36891177 |
| 2 | 2s | 6.446766 | -.85962221 |
| 3 | 3s | 5.588035 | -.27477658 |
| 4 | 4s | 25.038383 | .00110161 |
| 5 | 3s | 17.552748 | .00880290 |
| 6 | 5s | 8.852016 | -.00102824 |
| 7 | 2s | 57.317759 | .00002779 |
| 8 | 4s | 1.874304 | .00040274 |
| 9 | 3s | 2.215569 | -.00048253 |
| ORB.ENERGY,a.u. | -11.839000 | ||
| NORM | 1.000000 | < R > | .473087 | < R2 > | .265000 | < 1/R > | 3.088581 | < 1/R**2 > | 39.247753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.575106 | 1.01261690 |
| 2 | 2s | 20.328490 | -.02160102 |
| 3 | 3s | 13.982187 | .01636737 |
| 4 | 4s | 54.919033 | -.00070271 |
| 5 | 4s | 6.526231 | .00238782 |
| 6 | 5s | 67.585631 | .00021832 |
| 7 | 5s | 7.158547 | -.00167116 |
| 8 | 2s | 32.055077 | -.00095281 |
| 9 | 3s | 94.005443 | -.00003167 |
| ORB.ENERGY,a.u. | -94.523000 |
| NORM | 1.000000 | < R > | .097123 | < R2 > | .012678 | < 1/R > | 15.569435 | < 1/R**2 > | 488.955928 |
Total Energy= -389.13750531 a.u.
Kinetic Energy= 389.13750598 a.u.
Potential Energy= -778.27501129 a.u.
Virial Ratio = -2.00000000