(1s 1 2p 1 ) 3 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 3.780816 | .86070225 |
| 2 | 3p | 3.623889 | .14021899 |
| 3 | 2p | 7.548843 | .01863772 |
| 4 | 4p | 10.208171 | -.00109457 |
| 5 | 5p | 15.956810 | -.00043643 |
| ORB.ENERGY,a.u. | -6.294600 | ||
| NORM | 1.000000 | < R > | .694111 | < R2 > | .580410 | < 1/R > | 1.811447 | < 1/R**2 > | 4.414322 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.781220 | .76632506 |
| 2 | 1s | 8.250324 | .24881652 |
| 3 | 2s | 7.644803 | -.02327755 |
| 4 | 3s | 7.003573 | .00768174 |
| 5 | 4s | 9.507264 | .00131970 |
| 6 | 5s | 21.518558 | -.00011205 |
| 7 | 5s | 4.701718 | .00016778 |
| ORB.ENERGY,a.u. | -30.295000 |
| NORM | 1.000000 | < R > | .188822 | < R2 > | .047667 | < 1/R > | 7.962430 | < 1/R**2 > | 127.048320 |
Total Energy= -38.21139523 a.u.
Kinetic Energy= 38.26497341 a.u.
Potential Energy= -76.47636864 a.u.
Virial Ratio = -1.99859981