(1s 2 2s 2 2p 5 ) 2 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 4.845672 | .27651356 |
| 2 | 2p | 6.638244 | .90587116 |
| 3 | 3p | 9.143427 | -.22289073 |
| 4 | 4p | 12.166570 | .02744730 |
| 5 | 5p | 6.600737 | .03718088 |
| 6 | 5p | 21.198456 | .00168115 |
| 7 | 5p | 5.426858 | -.00179236 |
| ORB.ENERGY,a.u. | -12.029000 | ||
| NORM | 1.000000 | < R > | .419765 | < R2 > | .216987 | < 1/R > | 3.072306 | < 1/R**2 > | 13.063910 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.898900 | .38158687 |
| 2 | 2s | 6.632580 | -.83877980 |
| 3 | 3s | 5.917316 | -.31079919 |
| 4 | 4s | 25.970787 | .00195768 |
| 5 | 3s | 16.434037 | .00842103 |
| 6 | 5s | 7.728172 | .00868883 |
| 7 | 4s | 2.758490 | -.00008826 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .462408 | < R2 > | .252359 | < 1/R > | 3.161163 | < 1/R**2 > | 40.971449 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.146212 | .91931836 |
| 2 | 1s | 22.067834 | .07805260 |
| 3 | 2s | 8.664208 | .02223398 |
| 4 | 3s | 11.845893 | -.01959388 |
| 5 | 4s | 14.307456 | .00944200 |
| 6 | 5s | 38.880367 | .00059658 |
| 7 | 4s | 10.287058 | -.00362092 |
| 8 | 3s | 55.004663 | -.00010328 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .097012 | < R2 > | .012642 | < 1/R > | 15.580490 | < 1/R**2 > | 489.490197 |
Total Energy= -377.28437813 a.u.
Kinetic Energy= 377.28437778 a.u.
Potential Energy= -754.56875591 a.u.
Virial Ratio = -2.00000000