(1s 2 5p 1 ) 2 P F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2151.
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 | 5p- electron | |
| 1 | 2p | 1.034831 | 5.99239467 |
| 2 | 3p | 1.710425 | -6.97516185 |
| 3 | 4p | 1.326971 | 8.25627056 |
| 4 | 5p | 1.371344 | -8.68614040 |
| 5 | 2p | 8.256033 | .00769026 |
| 6 | 5p | 9.616608 | .00210145 |
| 7 | 3p | 12.057423 | -.00027242 |
| 8 | 5p | .727663 | -.00347954 |
| ORB.ENERGY,a.u. | -.990240 | ||
| NORM | .999988 | < R > | 5.160142 | < R2 > | 29.985079 | < 1/R > | .284148 | < 1/R**2 > | .278113 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.073819 | .84724625 |
| 2 | 1s | 12.437387 | .14973562 |
| 3 | 2s | 10.737230 | .02075856 |
| 4 | 3s | 9.205318 | -.01610265 |
| 5 | 4s | 15.879730 | .00401254 |
| 6 | 5s | 61.596755 | -.00002819 |
| 7 | 5s | 8.750321 | -.00096444 |
| ORB.ENERGY,a.u. | -34.712000 |
| NORM | 1.000000 | < R > | .173971 | < R2 > | .040582 | < 1/R > | 8.686346 | < 1/R**2 > | 152.366143 |
Total Energy= -76.47608096 a.u.
Kinetic Energy= 76.47607972 a.u.
Potential Energy= -152.95216068 a.u.
Virial Ratio = -2.00000002