(1s 2 2s 2 2p 4 4d 1 ) 2 F Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | .894446 | 1.22000083 |
| 2 | 4d | .742977 | -1.73261514 |
| 3 | 3d | 3.726485 | .02366000 |
| 4 | 5d | 6.014399 | -.00169773 |
| 5 | 4d | 2.420905 | .02336923 |
| 6 | 5d | .649283 | .01875109 |
| 7 | 4d | 23.549211 | .00001561 |
| ORB.ENERGY,a.u. | -.287970 | ||
| NORM | 1.000000 | < R > | 6.769167 | < R2 > | 52.679288 | < 1/R > | .198979 | < 1/R**2 > | .067560 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.190042 | 1.36392265 |
| 2 | 3p | 3.863751 | -.43201518 |
| 3 | 2p | 8.608153 | .06292761 |
| 4 | 4p | 9.819897 | .01868221 |
| 5 | 5p | 26.173350 | .00012666 |
| 6 | 5p | 2.304677 | .02507638 |
| 7 | 4p | 42.918978 | .00004360 |
| 8 | 4p | 2.015402 | -.02708895 |
| ORB.ENERGY,a.u. | -3.330600 | ||
| NORM | 1.000000 | < R > | .689534 | < R2 > | .592359 | < 1/R > | 1.895819 | < 1/R**2 > | 5.052943 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.072150 | .33501592 |
| 2 | 2s | 4.234502 | -.82987487 |
| 3 | 3s | 3.562838 | -.29491504 |
| 4 | 4s | 13.857245 | .01102418 |
| 5 | 3s | 15.473825 | .00464136 |
| 6 | 5s | 28.047671 | .00038210 |
| 7 | 5s | 2.554312 | -.00050685 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727735 | < R2 > | .629339 | < 1/R > | 1.992035 | < 1/R**2 > | 16.293708 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123732 |
| 2 | 1s | 15.432391 | .08737153 |
| 3 | 2s | 5.654398 | .01836970 |
| 4 | 3s | 7.093608 | -.01930400 |
| 5 | 4s | 9.046455 | .00951058 |
| 6 | 5s | 26.198936 | .00114871 |
| 7 | 4s | 61.703591 | -.00004731 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617097 | < 1/R**2 > | 227.847317 |
Total Energy= -157.71429690 a.u.
Kinetic Energy= 157.71171321 a.u.
Potential Energy= -315.42601011 a.u.
Virial Ratio = -2.00001638