(1s 2 2p 1 ) 2 P F 6+
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 | 3.568570 | .96654123 |
| 2 | 2p | 8.573450 | .01467258 |
| 3 | 2p | 10.862432 | .00612893 |
| 4 | 3p | 6.141681 | .02579194 |
| 5 | 4p | 7.357598 | -.00611095 |
| 6 | 5p | 4.313810 | .00341193 |
| 7 | 5p | 19.899934 | -.00031252 |
| ORB.ENERGY,a.u. | -6.282400 | ||
| NORM | 1.000000 | < R > | .691279 | < R2 > | .576275 | < 1/R > | 1.822593 | < 1/R**2 > | 4.487640 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.053008 | .85152328 |
| 2 | 1s | 12.561736 | .14580748 |
| 3 | 2s | 10.771900 | .02105409 |
| 4 | 3s | 9.559740 | -.01594877 |
| 5 | 4s | 15.644022 | .00359754 |
| 6 | 5s | 57.539824 | -.00004232 |
| 7 | 5s | 5.154385 | .00015348 |
| ORB.ENERGY,a.u. | -33.127000 |
| NORM | 1.000000 | < R > | .174607 | < R2 > | .040943 | < 1/R > | 8.666096 | < 1/R**2 > | 151.815832 |
Total Energy= -81.76623055 a.u.
Kinetic Energy= 81.76623004 a.u.
Potential Energy= -163.53246059 a.u.
Virial Ratio = -2.00000001