(1s 2 2s 2 2p 2 4p 1 ) 4 S Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4041.
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 | 4p- electron | |
| 1 | 2p | 4.857966 | .16064080 |
| 2 | 3p | 1.038082 | -.48275327 |
| 3 | 5p | 1.493383 | 1.38854753 |
| 4 | 4p | 2.309949 | -.69278668 |
| 5 | 5p | 5.976853 | .03240237 |
| 6 | 4p | 13.604658 | -.00319392 |
| 7 | 5p | 1.226428 | .25596495 |
| 8 | 5p | 29.753519 | -.00035141 |
| 9 | 4p | 44.449392 | -.00007958 |
| ORB.ENERGY,a.u. | -.909130 | ||
| NORM | 1.000000 | < R > | 3.964552 | < R2 > | 17.720767 | < 1/R > | .335489 | < 1/R**2 > | .269929 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.868516 | 1.22500330 |
| 2 | 3p | 4.561969 | -.22559627 |
| 3 | 2p | 11.093194 | .01933463 |
| 4 | 4p | 7.890712 | .00333812 |
| 5 | 5p | 8.452847 | -.01996243 |
| 6 | 5p | 2.519609 | -.02953260 |
| 7 | 4p | 1.266452 | .05034010 |
| 8 | 4p | 49.589423 | .00001917 |
| 9 | 3p | .869004 | -.00395353 |
| ORB.ENERGY,a.u. | -5.953000 | ||
| NORM | 1.000000 | < R > | .611001 | < R2 > | .467897 | < 1/R > | 2.097887 | < 1/R**2 > | 6.035050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.002079 | .36330108 |
| 2 | 2s | 4.424597 | -.82548146 |
| 3 | 3s | 4.504985 | -.26827503 |
| 4 | 4s | 17.801884 | .00277594 |
| 5 | 3s | 10.746202 | .01834503 |
| 6 | 5s | 4.485211 | -.04334350 |
| 7 | 4s | 1.032067 | .00012404 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680318 | < R2 > | .544790 | < 1/R > | 2.133258 | < 1/R**2 > | 18.524130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.125716 | .89396116 |
| 2 | 1s | 15.387604 | .10644393 |
| 3 | 2s | 9.550402 | .01807118 |
| 4 | 3s | 11.723113 | -.01492996 |
| 5 | 5s | 26.566980 | .00131889 |
| 6 | 4s | 66.675810 | -.00003463 |
| 7 | 5s | 8.668353 | .00094993 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142199 | < R2 > | .027161 | < 1/R > | 10.637060 | < 1/R**2 > | 228.501232 |
Total Energy= -149.68257947 a.u.
Kinetic Energy= 149.67950737 a.u.
Potential Energy= -299.36208684 a.u.
Virial Ratio = -2.00002052