(1s 2 2s 1 5p 1 ) 3 P F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 1.130191 | 2.57087167 |
| 2 | 3p | 1.526599 | -5.03106931 |
| 3 | 4p | 1.246680 | 7.36332224 |
| 4 | 5p | 1.222284 | -5.81191398 |
| 5 | 2p | 4.569065 | .07562797 |
| 6 | 5p | 5.238331 | .00922269 |
| 7 | 3p | 8.531908 | -.00597092 |
| ORB.ENERGY,a.u. | -.751470 | ||
| NORM | 1.000002 | < R > | 5.828877 | < R2 > | 38.243064 | < 1/R > | .250940 | < 1/R**2 > | .222983 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.384619 | .38781859 |
| 2 | 2s | 3.626408 | -.87024497 |
| 3 | 3s | 4.251850 | -.24498861 |
| 4 | 4s | 10.003279 | .01680684 |
| 5 | 3s | 12.544981 | .00717445 |
| 6 | 5s | 7.800637 | -.01722245 |
| 7 | 4s | 14.013597 | .00547638 |
| 8 | 5s | 9.553022 | .00520251 |
| 9 | 3s | 1.277296 | .00398726 |
| 10 | 2s | .966475 | -.00417076 |
| ORB.ENERGY,a.u. | -6.561800 | ||
| NORM | 1.000000 | < R > | .778745 | < R2 > | .707335 | < 1/R > | 1.869552 | < 1/R**2 > | 14.113904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.153413 | .86853024 |
| 2 | 1s | 12.239486 | .13438417 |
| 3 | 2s | 5.982944 | .02961445 |
| 4 | 3s | 8.633617 | -.02829101 |
| 5 | 4s | 16.732283 | .00413225 |
| 6 | 5s | 8.281369 | -.00567798 |
| 7 | 5s | 67.788790 | -.00001152 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174276 | < R2 > | .040759 | < 1/R > | 8.676180 | < 1/R**2 > | 152.074752 |
Total Energy= -83.02950200 a.u.
Kinetic Energy= 83.03079245 a.u.
Potential Energy= -166.06029445 a.u.
Virial Ratio = -1.99998446