(1s 2 2s 2 2p 3 4s 1 ) 3 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 9.668344 | .05992001 |
| 2 | 2s | 1.742211 | -1.05059833 |
| 3 | 3s | 1.762674 | 2.23871142 |
| 4 | 4s | 1.172779 | -1.56365223 |
| 5 | 5s | 2.609254 | -.23353678 |
| 6 | 4s | 9.190556 | -.03523539 |
| 7 | 5s | 11.468742 | .01061005 |
| 8 | 5s | 33.369610 | -.00025699 |
| 9 | 5s | .998608 | .02268683 |
| 10 | 4s | 50.071959 | -.00006330 |
| ORB.ENERGY,a.u. | -.690460 | ||
| NORM | 1.000000 | < R > | 4.378612 | < R2 > | 21.520391 | < 1/R > | .310673 | < 1/R**2 > | .679137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.763367 | 1.49628448 |
| 2 | 3p | 4.885910 | -.64469756 |
| 3 | 4p | 6.056992 | .14077061 |
| 4 | 5p | 18.719803 | -.00344373 |
| 5 | 4p | 2.599309 | .01597712 |
| 6 | 4p | 25.160652 | -.00145731 |
| 7 | 5p | 2.640726 | -.00599580 |
| 8 | 3p | 37.103535 | -.00010410 |
| ORB.ENERGY,a.u. | -4.759400 | ||
| NORM | 1.000000 | < R > | .645323 | < R2 > | .512621 | < 1/R > | 1.998546 | < 1/R**2 > | 5.536146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.210986 | .33964922 |
| 2 | 2s | 4.125045 | -.88227626 |
| 3 | 3s | 3.917003 | -.30223497 |
| 4 | 4s | 4.983699 | .07817607 |
| 5 | 3s | 12.184582 | .01852743 |
| 6 | 5s | 1.350393 | -.01684721 |
| 7 | 2s | 30.330480 | .00021096 |
| 8 | 3s | 1.144247 | .01009912 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .701956 | < R2 > | .583308 | < 1/R > | 2.065439 | < 1/R**2 > | 17.433433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.167847 | .90256660 |
| 2 | 1s | 15.550143 | .09672990 |
| 3 | 2s | 9.285011 | .01733797 |
| 4 | 3s | 12.904271 | -.01465768 |
| 5 | 4s | 20.459089 | .00389209 |
| 6 | 5s | 41.299862 | .00007596 |
| 7 | 5s | 8.209081 | .00122335 |
| 8 | 4s | 1.849890 | -.00133945 |
| 9 | 3s | 1.115445 | .00153756 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142461 | < R2 > | .027292 | < 1/R > | 10.625044 | < 1/R**2 > | 228.106079 |
Total Energy= -154.55454928 a.u.
Kinetic Energy= 154.54519797 a.u.
Potential Energy= -309.09974724 a.u.
Virial Ratio = -2.00006051