(1s 2 2s 2 2p 1 4s 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 9.275006 | .09685556 |
| 2 | 2s | 2.046649 | -1.38145403 |
| 3 | 3s | 2.130083 | 2.72776728 |
| 4 | 4s | 1.617658 | -1.94719226 |
| 5 | 5s | 7.954691 | -.03966532 |
| 6 | 4s | 10.908031 | -.02989390 |
| 7 | 5s | 15.872780 | .00463517 |
| 8 | 5s | 1.385279 | .03598118 |
| 9 | 4s | 40.805456 | -.00009782 |
| 10 | 4s | .710962 | -.00091186 |
| ORB.ENERGY,a.u. | -1.366900 | ||
| NORM | 1.000001 | < R > | 3.312453 | < R2 > | 12.320613 | < 1/R > | .431043 | < 1/R**2 > | 1.474285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.102084 | 1.10498128 |
| 2 | 3p | 4.899160 | -.13384909 |
| 3 | 2p | 9.737258 | .02952819 |
| 4 | 5p | 11.950342 | .00577656 |
| 5 | 4p | 23.530887 | -.00050207 |
| 6 | 5p | 74.418029 | -.00000954 |
| 7 | 5p | 3.771233 | .00668040 |
| 8 | 3p | 2.464953 | -.00491789 |
| ORB.ENERGY,a.u. | -7.269800 | ||
| NORM | 1.000000 | < R > | .584678 | < R2 > | .415576 | < 1/R > | 2.173825 | < 1/R**2 > | 6.441242 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 5s | 1.701041 | .00280617 |
| 2 | 2s | 66.828931 | -.00000186 |
| 3 | 1s | 9.624903 | .34069349 |
| 4 | 2s | 3.949248 | -.78020013 |
| 5 | 3s | 5.603255 | -.27640150 |
| 6 | 4s | 21.077850 | .00157839 |
| 7 | 5s | 11.377538 | -.01792475 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657787 | < R2 > | .507507 | < 1/R > | 2.210414 | < 1/R**2 > | 19.798661 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216374 | .92180555 |
| 2 | 1s | 16.019265 | .08070821 |
| 3 | 2s | 8.984777 | .01635769 |
| 4 | 3s | 11.573937 | -.01588204 |
| 5 | 4s | 58.059973 | -.00006440 |
| 6 | 5s | 25.383679 | .00122660 |
| 7 | 5s | 4.373869 | .00018534 |
| 8 | 3s | 1.022663 | -.00017643 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141856 | < R2 > | .027001 | < 1/R > | 10.653171 | < 1/R**2 > | 229.033294 |
Total Energy= -143.80849943 a.u.
Kinetic Energy= 143.81194095 a.u.
Potential Energy= -287.62044037 a.u.
Virial Ratio = -1.99997607