(1s 2 2s 2 2p 1 5d 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 5d- electron | |
| 1 | 3d | .756012 | 1.88257703 |
| 2 | 4d | .666222 | -4.23521650 |
| 3 | 5d | .594349 | 3.16285609 |
| 4 | 3d | 2.788602 | .02380313 |
| 5 | 4d | 1.135836 | -.14243165 |
| 6 | 5d | 3.732208 | -.00218491 |
| 7 | 5d | .458652 | -.01606071 |
| 8 | 4d | 18.173248 | .00002272 |
| ORB.ENERGY,a.u. | -.183700 | ||
| NORM | 1.000003 | < R > | 11.206810 | < R2 > | 142.927500 | < 1/R > | .126204 | < 1/R**2 > | .034384 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.616507 | .85089637 |
| 2 | 2p | 4.306027 | .14361956 |
| 3 | 2p | 9.198517 | .00857025 |
| 4 | 3p | .735745 | -.00012944 |
| 5 | 4p | 2.582714 | .02856263 |
| 6 | 4p | 13.782006 | -.00064308 |
| ORB.ENERGY,a.u. | -2.692800 | ||
| NORM | 1.000000 | < R > | .909564 | < R2 > | 1.012898 | < 1/R > | 1.410106 | < 1/R**2 > | 2.742937 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.278586 | .28860625 |
| 2 | 2s | 2.437167 | -.76175346 |
| 3 | 3s | 4.070927 | -.28662920 |
| 4 | 4s | 14.565090 | .00228848 |
| 5 | 5s | 8.243932 | -.01906369 |
| 6 | 5s | 2.718098 | .03096530 |
| 7 | 4s | 27.666031 | .00005308 |
| 8 | 4s | 2.214042 | -.00726421 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983321 | < R2 > | 1.139219 | < 1/R > | 1.460947 | < 1/R**2 > | 8.641840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355102 | .73313840 |
| 2 | 1s | 10.723440 | .19848273 |
| 3 | 1s | 3.595675 | .00393781 |
| 4 | 2s | 7.717154 | .09866131 |
| 5 | 3s | 8.680121 | -.02317062 |
| 6 | 4s | 14.551408 | .00527719 |
| 7 | 5s | 28.239776 | .00015026 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197790 | < R2 > | .052603 | < 1/R > | 7.660445 | < 1/R**2 > | 118.807745 |
Total Energy= -71.28047237 a.u.
Kinetic Energy= 71.27840982 a.u.
Potential Energy= -142.55888219 a.u.
Virial Ratio = -2.00002894