(1s 2 2s 2 2p 1 5s 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 6.902635 | .04262708 |
| 2 | 2s | 1.946363 | -.27854174 |
| 3 | 3s | 1.220700 | .87640067 |
| 4 | 4s | .634624 | -1.85538603 |
| 5 | 5s | .674059 | 3.46446552 |
| 6 | 5s | .928868 | -1.63246771 |
| 7 | 4s | 6.039304 | -.01294025 |
| 8 | 5s | 18.652323 | .00017793 |
| ORB.ENERGY,a.u. | -.228070 | ||
| NORM | 1.000003 | < R > | 9.898705 | < R2 > | 109.646792 | < 1/R > | .140744 | < 1/R**2 > | .173288 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.614664 | .86930124 |
| 2 | 2p | 4.452045 | .13242882 |
| 3 | 2p | 9.518834 | .00712083 |
| 4 | 3p | 9.806878 | .00002042 |
| 5 | 4p | 2.478417 | .02160854 |
| 6 | 4p | 13.192571 | -.00074610 |
| ORB.ENERGY,a.u. | -2.687100 | ||
| NORM | 1.000000 | < R > | .909572 | < R2 > | 1.012641 | < 1/R > | 1.409785 | < 1/R**2 > | 2.741382 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.224240 | .29219140 |
| 2 | 2s | 2.516481 | -.75754608 |
| 3 | 3s | 3.929153 | -.27468866 |
| 4 | 4s | 15.695642 | .00173712 |
| 5 | 5s | 8.137881 | -.02438173 |
| 6 | 4s | 1.617830 | .02754154 |
| 7 | 5s | 1.765607 | -.01209060 |
| 8 | 3s | .429675 | .04997313 |
| 9 | 2s | .353789 | -.05260946 |
| 10 | 5s | 55.669880 | .00000902 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .982341 | < R2 > | 1.138527 | < 1/R > | 1.462537 | < 1/R**2 > | 8.659485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.350800 | .73290376 |
| 2 | 1s | 10.713162 | .19875347 |
| 3 | 1s | 3.896783 | .00574409 |
| 4 | 2s | 7.693071 | .09771239 |
| 5 | 3s | 8.528427 | -.02361218 |
| 6 | 4s | 14.774567 | .00459566 |
| 7 | 5s | .568582 | -.00226880 |
| 8 | 3s | 33.001751 | -.00004945 |
| 9 | 4s | .504025 | .00210580 |
| 10 | 3s | 1.180543 | -.00015612 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197800 | < R2 > | .052623 | < 1/R > | 7.660222 | < 1/R**2 > | 118.802179 |
Total Energy= -71.32464093 a.u.
Kinetic Energy= 71.32270296 a.u.
Potential Energy= -142.64734389 a.u.
Virial Ratio = -2.00002717