(1s 2 2s 2 2p 3 5s 1 ) 3 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 9.407461 | .04283327 |
| 2 | 2s | 2.936637 | -.23304494 |
| 3 | 3s | 1.237968 | 2.06627599 |
| 4 | 4s | 1.154193 | -3.49489925 |
| 5 | 5s | .889067 | 2.22175101 |
| 6 | 5s | 10.292804 | -.00719634 |
| 7 | 4s | 12.756537 | -.00260660 |
| 8 | 4s | .565710 | -.07145721 |
| 9 | 5s | 51.291062 | -.00001965 |
| 10 | 3s | .373114 | .01551967 |
| ORB.ENERGY,a.u. | -.411640 | ||
| NORM | .999995 | < R > | 7.313880 | < R2 > | 59.871320 | < 1/R > | .190366 | < 1/R**2 > | .319698 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.765467 | 1.49572591 |
| 2 | 3p | 4.889682 | -.64176217 |
| 3 | 4p | 6.064393 | .13884123 |
| 4 | 5p | 18.527395 | -.00351035 |
| 5 | 4p | 2.519929 | .01620929 |
| 6 | 4p | 24.858576 | -.00153415 |
| 7 | 5p | 2.551187 | -.00690700 |
| 8 | 3p | 36.848233 | -.00010960 |
| ORB.ENERGY,a.u. | -4.882900 | ||
| NORM | 1.000000 | < R > | .644795 | < R2 > | .511720 | < 1/R > | 1.999922 | < 1/R**2 > | 5.542939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.798000 | .30929500 |
| 2 | 2s | 3.577002 | -.77732105 |
| 3 | 3s | 6.223863 | -.24774909 |
| 4 | 4s | 17.266582 | .00395031 |
| 5 | 5s | 5.637916 | -.04717700 |
| 6 | 4s | .905684 | .03345271 |
| 7 | 5s | 1.218238 | -.03277680 |
| 8 | 2s | 21.094277 | -.00047592 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .702726 | < R2 > | .585074 | < 1/R > | 2.063383 | < 1/R**2 > | 17.402274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.166582 | .90295040 |
| 2 | 1s | 15.551672 | .09661558 |
| 3 | 2s | 9.221759 | .01715996 |
| 4 | 3s | 12.762364 | -.01486390 |
| 5 | 4s | 20.127335 | .00383193 |
| 6 | 5s | 38.174224 | .00012043 |
| 7 | 5s | 8.853638 | .00098955 |
| 8 | 4s | 2.494968 | -.00310919 |
| 9 | 3s | 1.953935 | .00326657 |
| 10 | 5s | .615571 | -.00034957 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142455 | < R2 > | .027293 | < 1/R > | 10.625311 | < 1/R**2 > | 228.115081 |
Total Energy= -154.27090299 a.u.
Kinetic Energy= 154.26666659 a.u.
Potential Energy= -308.53756957 a.u.
Virial Ratio = -2.00002746