(1s 2 2s 2 2p 1 3d 1 ) 3 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 3d- electron | |
| 1 | 3d | 1.046835 | .89626048 |
| 2 | 3d | 2.850854 | .04531334 |
| 3 | 4d | 1.000843 | .07425988 |
| 4 | 5d | 2.497778 | .01925721 |
| 5 | 4d | 6.447098 | -.00057011 |
| 6 | 5d | 29.879018 | .00000719 |
| ORB.ENERGY,a.u. | -.510400 | ||
| NORM | 1.000000 | < R > | 3.332531 | < R2 > | 12.834499 | < 1/R > | .356589 | < 1/R**2 > | .157378 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.609839 | .86102208 |
| 2 | 2p | 4.347516 | .14147208 |
| 3 | 2p | 9.423522 | .00761881 |
| 4 | 3p | 4.149914 | -.00326331 |
| 5 | 4p | 2.282904 | .02679327 |
| 6 | 4p | 13.136362 | -.00070395 |
| ORB.ENERGY,a.u. | -2.426300 | ||
| NORM | 1.000000 | < R > | .912628 | < R2 > | 1.021959 | < 1/R > | 1.407546 | < 1/R**2 > | 2.735746 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.277806 | .28808113 |
| 2 | 2s | 2.435401 | -.76191352 |
| 3 | 3s | 4.080712 | -.28624759 |
| 4 | 4s | 14.153563 | .00253724 |
| 5 | 5s | 8.263589 | -.01794797 |
| 6 | 5s | 2.730668 | .02454469 |
| 7 | 4s | 25.003857 | .00009646 |
| 8 | 4s | 1.954089 | -.00439468 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .985815 | < R2 > | 1.146147 | < 1/R > | 1.457907 | < 1/R**2 > | 8.609867 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355501 | .73317512 |
| 2 | 1s | 10.722523 | .19847606 |
| 3 | 1s | 3.577975 | .00388291 |
| 4 | 2s | 7.715368 | .09868751 |
| 5 | 3s | 8.676799 | -.02316698 |
| 6 | 4s | 14.548677 | .00527286 |
| 7 | 5s | 28.204970 | .00015098 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197787 | < R2 > | .052601 | < 1/R > | 7.660526 | < 1/R**2 > | 118.809813 |
Total Energy= -71.61556238 a.u.
Kinetic Energy= 71.60512202 a.u.
Potential Energy= -143.22068440 a.u.
Virial Ratio = -2.00014580