(1s 2 2s 1 5d 1 ) 1 D O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 1.148560 | 2.16596802 |
| 2 | 4d | 1.075202 | -5.20663630 |
| 3 | 5d | .980426 | 3.65623151 |
| 4 | 3d | 4.782549 | .00644276 |
| 5 | 4d | 1.804569 | .03594221 |
| 6 | 5d | 1.532022 | .06489343 |
| 7 | 4d | 11.168005 | -.00024886 |
| 8 | 5d | .815299 | -.04676291 |
| ORB.ENERGY,a.u. | -.500310 | ||
| NORM | 1.000003 | < R > | 6.885468 | < R2 > | 53.842426 | < 1/R > | .201923 | < 1/R**2 > | .083071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.600017 | .37375442 |
| 2 | 2s | 3.150212 | -.87492853 |
| 3 | 3s | 3.768286 | -.25205012 |
| 4 | 4s | 7.681322 | .03904757 |
| 5 | 3s | 9.129813 | .01969190 |
| 6 | 5s | 8.162224 | -.01791735 |
| 7 | 5s | 2.970360 | -.00565694 |
| 8 | 5s | 19.133410 | .00080530 |
| 9 | 3s | 2.021410 | .00244241 |
| ORB.ENERGY,a.u. | -4.850900 | ||
| NORM | 1.000000 | < R > | .895087 | < R2 > | .934728 | < 1/R > | 1.619986 | < 1/R**2 > | 10.597852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.246276 | .87321860 |
| 2 | 1s | 10.966306 | .12756356 |
| 3 | 2s | 5.008107 | .02646943 |
| 4 | 3s | 6.379608 | -.03018903 |
| 5 | 4s | 14.532543 | .00412472 |
| 6 | 5s | 8.543776 | .00437277 |
| 7 | 5s | 50.199665 | -.00003577 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197144 | < R2 > | .052199 | < 1/R > | 7.677468 | < 1/R**2 > | 119.229558 |
Total Energy= -64.70618515 a.u.
Kinetic Energy= 64.67832837 a.u.
Potential Energy= -129.38451352 a.u.
Virial Ratio = -2.00043070