(1s 2 2s 1 3p 1 ) 3 P O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 2.257798 | .86577549 |
| 2 | 3p | 1.736495 | -1.45919406 |
| 3 | 2p | 6.551421 | .03084835 |
| 4 | 4p | 6.892186 | .01412573 |
| 5 | 5p | 4.193890 | -.02582771 |
| 6 | 2p | 42.847923 | -.00000278 |
| ORB.ENERGY,a.u. | -1.516500 | ||
| NORM | 1.000000 | < R > | 2.287286 | < R2 > | 6.020240 | < 1/R > | .608011 | < 1/R**2 > | .775281 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.592500 | .37117029 |
| 2 | 2s | 3.154935 | -.86939652 |
| 3 | 3s | 3.767730 | -.25111937 |
| 4 | 4s | 8.453212 | .02575758 |
| 5 | 3s | 9.519849 | .02065630 |
| 6 | 5s | 3.098038 | -.01751891 |
| 7 | 5s | 29.984321 | -.00027488 |
| 8 | 4s | 44.406579 | -.00006874 |
| ORB.ENERGY,a.u. | -4.549400 | ||
| NORM | 1.000000 | < R > | .902604 | < R2 > | .952164 | < 1/R > | 1.606409 | < 1/R**2 > | 10.430882 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.215418 | .87488283 |
| 2 | 1s | 11.053891 | .12789085 |
| 3 | 2s | 5.720240 | .02324965 |
| 4 | 3s | 7.245567 | -.02605381 |
| 5 | 4s | 14.960210 | .00346905 |
| 6 | 5s | 10.296683 | .00178285 |
| 7 | 5s | 27.075795 | -.00003270 |
| 8 | 3s | 24.171065 | -.00018737 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197267 | < R2 > | .052271 | < 1/R > | 7.674127 | < 1/R**2 > | 119.147402 |
Total Energy= -65.68714466 a.u.
Kinetic Energy= 65.69422237 a.u.
Potential Energy= -131.38136703 a.u.
Virial Ratio = -1.99989226