(1s 1 5s 1 ) 3 S Na 9+
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 | 8.103923 | .12728003 |
| 2 | 2s | 2.909759 | -1.96747257 |
| 3 | 3s | 2.332054 | 6.60642812 |
| 4 | 4s | 1.846206 | -18.06585688 |
| 5 | 5s | 1.963024 | 14.14067489 |
| 6 | 2s | 5.795309 | .16911918 |
| 7 | 5s | 18.977999 | .00075411 |
| 8 | 4s | 1.301754 | .02559100 |
| 9 | 4s | 31.378232 | .00003394 |
| ORB.ENERGY,a.u. | -2.134600 | ||
| NORM | 1.000000 | < R > | 3.686178 | < R2 > | 15.217268 | < 1/R > | .403414 | < 1/R**2 > | 1.600471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.740294 | .88921146 |
| 2 | 1s | 13.406439 | .10562905 |
| 3 | 2s | 13.815427 | .01064215 |
| 4 | 3s | 10.497856 | -.00553108 |
| 5 | 4s | 27.659592 | .00004286 |
| 6 | 5s | 11.134340 | .00042668 |
| ORB.ENERGY,a.u. | -60.215000 |
| NORM | 1.000000 | < R > | .136363 | < R2 > | .024794 | < 1/R > | 11.000239 | < 1/R**2 > | 242.011259 |
Total Energy= -62.52956503 a.u.
Kinetic Energy= 62.53507761 a.u.
Potential Energy= -125.06464263 a.u.
Virial Ratio = -1.99991185