(1s 2 2s 2 2p 4 3p 1 ) 2 P Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 2.499598 | .20623356 |
| 2 | 3p | 1.212103 | -.89716665 |
| 3 | 4p | 1.654603 | -.17117024 |
| 4 | 2p | 6.319248 | .04603782 |
| 5 | 5p | 8.666372 | .00421333 |
| 6 | 5p | 23.766653 | -.00033286 |
| 7 | 4p | 35.841972 | -.00006479 |
| ORB.ENERGY,a.u. | -.705750 | ||
| NORM | 1.000000 | < R > | 2.991108 | < R2 > | 10.048565 | < 1/R > | .400206 | < 1/R**2 > | .272342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.568858 | 1.60233780 |
| 2 | 3p | 4.721099 | -.92977946 |
| 3 | 4p | 5.835385 | .27185888 |
| 4 | 5p | 1.953326 | -.01625515 |
| 5 | 5p | 10.324771 | .02035111 |
| 6 | 4p | 12.121344 | .00980413 |
| 7 | 3p | 2.616104 | .04221748 |
| 8 | 4p | 1.277544 | -.01373394 |
| 9 | 3p | 27.554604 | .00007650 |
| ORB.ENERGY,a.u. | -3.049700 | ||
| NORM | 1.000000 | < R > | .683390 | < R2 > | .579951 | < 1/R > | 1.904372 | < 1/R**2 > | 5.083722 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.081224 | .33390461 |
| 2 | 2s | 4.225662 | -.82865226 |
| 3 | 3s | 3.558387 | -.29477848 |
| 4 | 4s | 14.091884 | .01153436 |
| 5 | 3s | 16.401262 | .00370671 |
| 6 | 5s | 28.354643 | .00038390 |
| 7 | 5s | 2.579973 | -.00118758 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .728998 | < R2 > | .631696 | < 1/R > | 1.988511 | < 1/R**2 > | 16.239162 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.242898 | .91125253 |
| 2 | 1s | 15.434619 | .08736374 |
| 3 | 2s | 5.649148 | .01842517 |
| 4 | 3s | 7.074720 | -.01935680 |
| 5 | 4s | 9.013166 | .00958213 |
| 6 | 5s | 26.071635 | .00111400 |
| 7 | 4s | 61.087613 | -.00005371 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142652 | < R2 > | .027378 | < 1/R > | 10.616324 | < 1/R**2 > | 227.821747 |
Total Energy= -158.15095765 a.u.
Kinetic Energy= 158.12946537 a.u.
Potential Energy= -316.28042302 a.u.
Virial Ratio = -2.00013592