(1s 2 2s 2 2p 1 4d 1 ) 3 F O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | .921182 | 1.11124463 |
| 2 | 4d | .763196 | -1.65397079 |
| 3 | 3d | 2.757926 | .05530362 |
| 4 | 5d | 2.407882 | .03456914 |
| 5 | 4d | 6.792803 | -.00058100 |
| ORB.ENERGY,a.u. | -.295770 | ||
| NORM | .999999 | < R > | 6.556691 | < R2 > | 49.506638 | < 1/R > | .207131 | < 1/R**2 > | .074456 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.616422 | .74489894 |
| 2 | 2p | 3.733692 | .25632282 |
| 3 | 2p | 9.469744 | .00699741 |
| 4 | 3p | 4.608309 | -.03609052 |
| 5 | 4p | 2.843684 | .05526840 |
| 6 | 4p | 13.507750 | -.00073892 |
| 7 | 5p | 1.241015 | -.00288674 |
| 8 | 3p | 1.560199 | .00842405 |
| ORB.ENERGY,a.u. | -2.617700 | ||
| NORM | 1.000000 | < R > | .913251 | < R2 > | 1.022200 | < 1/R > | 1.405840 | < 1/R**2 > | 2.728876 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.282913 | .28814123 |
| 2 | 2s | 2.424395 | -.76553544 |
| 3 | 3s | 4.083638 | -.28707899 |
| 4 | 4s | 12.459495 | .00191812 |
| 5 | 5s | 8.348683 | -.01860540 |
| 6 | 5s | 2.796004 | .02763665 |
| 7 | 4s | 17.429146 | .00078835 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .984149 | < R2 > | 1.141452 | < 1/R > | 1.459883 | < 1/R**2 > | 8.630377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355670 | .73316875 |
| 2 | 1s | 10.722282 | .19846901 |
| 3 | 1s | 3.583929 | .00389769 |
| 4 | 2s | 7.715298 | .09867722 |
| 5 | 3s | 8.676297 | -.02316587 |
| 6 | 4s | 14.548585 | .00527844 |
| 7 | 5s | 28.228142 | .00015099 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197786 | < R2 > | .052601 | < 1/R > | 7.660555 | < 1/R**2 > | 118.810456 |
Total Energy= -71.38596665 a.u.
Kinetic Energy= 71.39048450 a.u.
Potential Energy= -142.77645115 a.u.
Virial Ratio = -1.99993672