(1s 2 2s 1 3p 1 ) 1 P Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
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 | 3p- electron | |
| 1 | 2p | 5.541561 | 1.06650749 |
| 2 | 3p | 4.699563 | -1.66563020 |
| 3 | 2p | 13.955350 | .02536782 |
| 4 | 4p | 17.872848 | .00626397 |
| 5 | 3p | 42.190157 | .00006132 |
| 6 | 5p | 4.066309 | .00144546 |
| ORB.ENERGY,a.u. | -11.247000 | ||
| NORM | 1.000000 | < R > | .865010 | < R2 > | .861735 | < 1/R > | 1.609816 | < 1/R**2 > | 5.306266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.674372 | .44198377 |
| 2 | 2s | 7.591708 | -.81136318 |
| 3 | 3s | 8.595203 | -.31111615 |
| 4 | 5s | 14.538511 | -.02771083 |
| 5 | 4s | 31.251723 | .00509168 |
| 6 | 5s | 41.663907 | -.00131219 |
| 7 | 4s | 4.609153 | .00039925 |
| 8 | 3s | 75.780309 | .00003882 |
| ORB.ENERGY,a.u. | -28.343000 | ||
| NORM | 1.000000 | < R > | .382136 | < R2 > | .170230 | < 1/R > | 3.865777 | < 1/R**2 > | 60.204492 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.391204 | .93924759 |
| 2 | 1s | 25.877431 | .04796066 |
| 3 | 2s | 20.235449 | .01679176 |
| 4 | 3s | 10.955987 | .00134178 |
| 5 | 4s | 68.224693 | -.00043078 |
| 6 | 5s | 91.336969 | .00015834 |
| 7 | 5s | 21.830799 | .00052881 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090394 | < R2 > | .010935 | < 1/R > | 16.667075 | < 1/R**2 > | 558.611403 |
Total Energy= -319.37954603 a.u.
Kinetic Energy= 319.32415832 a.u.
Potential Energy= -638.70370434 a.u.
Virial Ratio = -2.00017345