(1s 2 2s 2 2p 4 4d 1 ) 4 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 4d- electron | |
| 1 | 3d | .894677 | 1.21315864 |
| 2 | 4d | .741793 | -1.72746788 |
| 3 | 3d | 3.696551 | .02624648 |
| 4 | 5d | 6.145546 | -.00134127 |
| 5 | 4d | 2.456117 | .02446782 |
| 6 | 5d | .649259 | .02045284 |
| 7 | 4d | 24.064848 | .00001508 |
| ORB.ENERGY,a.u. | -.287660 | ||
| NORM | .999998 | < R > | 6.765403 | < R2 > | 52.674562 | < 1/R > | .199881 | < 1/R**2 > | .068724 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.190471 | 1.36605302 |
| 2 | 3p | 3.861718 | -.43403080 |
| 3 | 2p | 8.701616 | .06107915 |
| 4 | 4p | 9.917879 | .01961386 |
| 5 | 5p | 24.922554 | .00029379 |
| 6 | 5p | 2.271000 | .02271306 |
| 7 | 4p | 40.469625 | .00007682 |
| 8 | 4p | 1.975575 | -.02406928 |
| ORB.ENERGY,a.u. | -3.330300 | ||
| NORM | 1.000000 | < R > | .689621 | < R2 > | .592551 | < 1/R > | 1.895685 | < 1/R**2 > | 5.052424 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.072030 | .33502141 |
| 2 | 2s | 4.234568 | -.82987422 |
| 3 | 3s | 3.562736 | -.29492336 |
| 4 | 4s | 13.857825 | .01102131 |
| 5 | 3s | 15.467438 | .00464409 |
| 6 | 5s | 28.078077 | .00038119 |
| 7 | 5s | 2.563776 | -.00051508 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727741 | < R2 > | .629353 | < 1/R > | 1.992026 | < 1/R**2 > | 16.293604 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123717 |
| 2 | 1s | 15.432579 | .08737045 |
| 3 | 2s | 5.655168 | .01836907 |
| 4 | 3s | 7.094510 | -.01930151 |
| 5 | 4s | 9.047240 | .00950888 |
| 6 | 5s | 26.207322 | .00114925 |
| 7 | 4s | 61.703514 | -.00004691 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617104 | < 1/R**2 > | 227.847550 |
Total Energy= -157.71430661 a.u.
Kinetic Energy= 157.71139874 a.u.
Potential Energy= -315.42570535 a.u.
Virial Ratio = -2.00001844