(1s 2 2s 2 2p 2 5s 1 ) 2 P O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2150.
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 | 5s- electron | |
| 1 | 1s | 8.344366 | .02140687 |
| 2 | 2s | 1.993953 | -.14224882 |
| 3 | 3s | .880254 | .84118343 |
| 4 | 4s | .588626 | -2.23465197 |
| 5 | 5s | .485081 | 2.14652596 |
| 6 | 5s | 7.002915 | -.00987448 |
| 7 | 4s | 16.708794 | .00231310 |
| 8 | 5s | 22.868934 | -.00075484 |
| 9 | 2s | 10.901745 | .00295821 |
| ORB.ENERGY,a.u. | -.112600 | ||
| NORM | .999995 | < R > | 13.369230 | < R2 > | 200.177290 | < 1/R > | .102357 | < 1/R**2 > | .082168 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.275952 | .83065376 |
| 2 | 2p | 4.074423 | .20620870 |
| 3 | 2p | 9.027206 | .00893182 |
| 4 | 3p | 1.740014 | .02792170 |
| 5 | 4p | 2.809732 | -.03340263 |
| 6 | 5p | 18.507295 | -.00027258 |
| 7 | 5p | 1.852115 | -.00391457 |
| 8 | 4p | 73.186475 | .00000208 |
| ORB.ENERGY,a.u. | -1.887000 | ||
| NORM | 1.000000 | < R > | .985060 | < R2 > | 1.200845 | < 1/R > | 1.318373 | < 1/R**2 > | 2.431679 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.674877 | .31201083 |
| 2 | 2s | 2.923934 | -.84729376 |
| 3 | 3s | 2.494171 | -.26802012 |
| 4 | 5s | 19.509550 | .00065563 |
| 5 | 4s | 9.617681 | .01843625 |
| 6 | 3s | 11.092648 | .00747979 |
| 7 | 5s | .780314 | -.01414507 |
| 8 | 2s | .289974 | .01485764 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.033369 | < R2 > | 1.271720 | < 1/R > | 1.389308 | < 1/R**2 > | 7.853018 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340013 | .73661543 |
| 2 | 1s | 10.783594 | .19581281 |
| 3 | 1s | 2.279634 | .00416305 |
| 4 | 2s | 7.740244 | .09936205 |
| 5 | 3s | 8.883384 | -.02275846 |
| 6 | 4s | 14.945085 | .00466981 |
| 7 | 5s | 3.750666 | -.00076977 |
| 8 | 3s | 34.619218 | -.00003071 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198218 | < R2 > | .052889 | < 1/R > | 7.650414 | < 1/R**2 > | 118.571970 |
Total Energy= -73.21419496 a.u.
Kinetic Energy= 73.21275730 a.u.
Potential Energy= -146.42695226 a.u.
Virial Ratio = -2.00001964