(1s 2 3p 1 ) 2 P O 5+
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 | 9.104382 | .00686662 |
| 2 | 2p | 1.970467 | 1.72465899 |
| 3 | 3p | 2.033235 | -2.33784699 |
| 4 | 2p | 4.046108 | .01952776 |
| 5 | 3p | 3.451963 | -.02444203 |
| 6 | 5p | 1.958674 | -.00714893 |
| 7 | 4p | 33.974564 | .00002090 |
| ORB.ENERGY,a.u. | -2.038100 | ||
| NORM | 1.000000 | < R > | 2.041014 | < R2 > | 4.804498 | < 1/R > | .685819 | < 1/R**2 > | .967343 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.361048 | .73035363 |
| 2 | 1s | 10.621497 | .20491705 |
| 3 | 2s | 7.638640 | .09919300 |
| 4 | 3s | 8.111774 | -.02368286 |
| 5 | 4s | 14.369372 | .00395422 |
| 6 | 5s | 53.280472 | -.00003212 |
| 7 | 5s | 4.032143 | -.00016133 |
| ORB.ENERGY,a.u. | -26.401000 |
| NORM | 1.000000 | < R > | .196958 | < R2 > | .052068 | < 1/R > | 7.682192 | < 1/R**2 > | 119.353887 |
Total Energy= -61.14871131 a.u.
Kinetic Energy= 61.14871110 a.u.
Potential Energy= -122.29742241 a.u.
Virial Ratio = -2.00000000