(1s 1 3p 1 ) 3 P S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 6.182269 | .96051046 |
| 2 | 3p | 4.964306 | -1.70115313 |
| 3 | 2p | 6.461244 | .06066769 |
| 4 | 4p | 7.258691 | .13241533 |
| 5 | 5p | 13.245600 | .01095255 |
| 6 | 4p | 31.647504 | -.00072803 |
| 7 | 5p | 45.947476 | .00018840 |
| ORB.ENERGY,a.u. | -13.052000 | ||
| NORM | 1.000000 | < R > | .826690 | < R2 > | .787491 | < 1/R > | 1.683385 | < 1/R**2 > | 5.713802 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.756339 | .88985981 |
| 2 | 1s | 18.295520 | .10614897 |
| 3 | 2s | 18.857951 | .00618569 |
| 4 | 3s | 10.920637 | -.00671248 |
| 5 | 4s | 16.704038 | .00238269 |
| 6 | 5s | 13.756086 | .00319239 |
| ORB.ENERGY,a.u. | -126.830000 |
| NORM | 1.000000 | < R > | .093828 | < R2 > | .011740 | < 1/R > | 15.990075 | < 1/R**2 > | 511.481456 |
Total Energy= -140.56170140 a.u.
Kinetic Energy= 140.59416656 a.u.
Potential Energy= -281.15586795 a.u.
Virial Ratio = -1.99976909