(1s 2 2s 2 2p 2 5p 1 ) 2 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 5p- electron | |
| 1 | 2p | 3.110324 | .20645645 |
| 2 | 3p | 1.489116 | -1.66769194 |
| 3 | 4p | 1.171920 | 4.56183931 |
| 4 | 5p | 1.087457 | -3.37239730 |
| 5 | 2p | 6.165246 | .04508658 |
| 6 | 5p | 17.201053 | -.00124725 |
| 7 | 4p | .923487 | -.34191859 |
| 8 | 4p | 25.175876 | -.00038590 |
| ORB.ENERGY,a.u. | -.575280 | ||
| NORM | .999999 | < R > | 6.350783 | < R2 > | 45.324431 | < 1/R > | .225352 | < 1/R**2 > | .184763 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.854218 | 1.21878060 |
| 2 | 3p | 4.702978 | -.24342439 |
| 3 | 2p | 10.372380 | .02379335 |
| 4 | 4p | 10.941962 | .00656947 |
| 5 | 5p | 23.831833 | -.00029642 |
| 6 | 5p | 3.054008 | .01258567 |
| 7 | 4p | 2.692517 | -.01352186 |
| ORB.ENERGY,a.u. | -6.104300 | ||
| NORM | 1.000000 | < R > | .612604 | < R2 > | .458757 | < 1/R > | 2.088399 | < 1/R**2 > | 5.990516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.004666 | .36344356 |
| 2 | 2s | 4.423733 | -.82563431 |
| 3 | 3s | 4.505437 | -.26826883 |
| 4 | 4s | 17.611357 | .00283582 |
| 5 | 3s | 10.850472 | .01778548 |
| 6 | 5s | 4.500595 | -.04221595 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679754 | < R2 > | .543801 | < 1/R > | 2.135008 | < 1/R**2 > | 18.552261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126030 | .89434908 |
| 2 | 1s | 15.407387 | .10602953 |
| 3 | 2s | 9.657150 | .01800191 |
| 4 | 3s | 11.797444 | -.01487949 |
| 5 | 5s | 26.561037 | .00134129 |
| 6 | 4s | 67.516692 | -.00003376 |
| 7 | 5s | 8.635264 | .00097254 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142190 | < R2 > | .027157 | < 1/R > | 10.637466 | < 1/R**2 > | 228.514732 |
Total Energy= -149.33543398 a.u.
Kinetic Energy= 149.34573789 a.u.
Potential Energy= -298.68117187 a.u.
Virial Ratio = -1.99993101