(1s 2 2s 2 2p 4 3s 1 ) 2 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2130.
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 | 3s- electron | |
| 1 | 1s | 13.752922 | .15917255 |
| 2 | 2s | 5.083544 | -.78904888 |
| 3 | 3s | 3.489866 | 1.37802432 |
| 4 | 4s | 13.728057 | -.01376673 |
| 5 | 5s | 3.192555 | -.01550086 |
| 6 | 5s | 71.643213 | -.00000650 |
| 7 | 4s | 2.568741 | .00708662 |
| 8 | 5s | 21.974973 | -.00167455 |
| 9 | 2s | 65.018781 | .00000939 |
| ORB.ENERGY,a.u. | -6.001700 | ||
| NORM | 1.000000 | < R > | 1.148469 | < R2 > | 1.485455 | < 1/R > | 1.199169 | < 1/R**2 > | 8.386731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.022135 | 1.14328788 |
| 2 | 3p | 6.779492 | -.21921912 |
| 3 | 2p | 12.932048 | .07223375 |
| 4 | 5p | 40.380199 | -.00012844 |
| 5 | 4p | 15.629502 | .01085699 |
| ORB.ENERGY,a.u. | -15.537000 | ||
| NORM | 1.000000 | < R > | .375288 | < R2 > | .172278 | < 1/R > | 3.409392 | < 1/R**2 > | 15.945973 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.811866 | .35403066 |
| 2 | 2s | 6.241796 | -.79046681 |
| 3 | 3s | 9.423038 | -.24562392 |
| 4 | 4s | 7.559130 | -.04946289 |
| 5 | 5s | 20.237127 | -.00826984 |
| 6 | 4s | 4.339367 | .01079239 |
| 7 | 2s | 20.318779 | .00028323 |
| 8 | 3s | 52.862425 | -.00006328 |
| 9 | 3s | 2.253670 | .00226199 |
| 10 | 5s | 2.314672 | -.00052490 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .418341 | < R2 > | .205345 | < 1/R > | 3.498648 | < 1/R**2 > | 49.921268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.192010 | .91270819 |
| 2 | 1s | 22.686756 | .08215741 |
| 3 | 2s | 7.185386 | .03166335 |
| 4 | 3s | 5.635869 | -.05126868 |
| 5 | 4s | 6.413283 | .03584873 |
| 6 | 5s | 42.470568 | .00087697 |
| 7 | 4s | 2.107891 | -.00006922 |
| 8 | 4s | 13.502911 | -.00566600 |
| 9 | 3s | 78.986255 | -.00003688 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091052 | < R2 > | .011127 | < 1/R > | 16.587741 | < 1/R**2 > | 554.428856 |
Total Energy= -423.37871616 a.u.
Kinetic Energy= 423.32164511 a.u.
Potential Energy= -846.70036127 a.u.
Virial Ratio = -2.00013482