(1s 2 2s 1 4d 1 ) 1 D O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.286814 | 1.91075547 |
| 2 | 4d | 1.247173 | -2.42227851 |
| 3 | 5d | 6.994036 | .00294487 |
| 4 | 3d | 5.690349 | .00402442 |
| 5 | 5d | 1.132548 | .00313106 |
| ORB.ENERGY,a.u. | -.780890 | ||
| NORM | .999998 | < R > | 4.191135 | < R2 > | 20.115800 | < 1/R > | .315300 | < 1/R**2 > | .161139 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.593138 | .37424324 |
| 2 | 2s | 3.170169 | -.86539338 |
| 3 | 3s | 3.700569 | -.24852388 |
| 4 | 4s | 9.360046 | .02758617 |
| 5 | 3s | 11.200999 | .00928575 |
| 6 | 5s | 5.986533 | -.00824863 |
| 7 | 5s | 3.114802 | -.00582967 |
| 8 | 5s | 19.044752 | .00090553 |
| 9 | 3s | .902859 | -.00015456 |
| ORB.ENERGY,a.u. | -4.726200 | ||
| NORM | 1.000000 | < R > | .895590 | < R2 > | .936019 | < 1/R > | 1.619376 | < 1/R**2 > | 10.592401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.245101 | .87322574 |
| 2 | 1s | 10.965825 | .12767713 |
| 3 | 2s | 4.984694 | .02654088 |
| 4 | 3s | 6.363730 | -.03060295 |
| 5 | 4s | 14.514010 | .00414883 |
| 6 | 5s | 8.532623 | .00457844 |
| 7 | 5s | 50.349859 | -.00003559 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197148 | < R2 > | .052202 | < 1/R > | 7.677386 | < 1/R**2 > | 119.227729 |
Total Energy= -65.01514457 a.u.
Kinetic Energy= 64.95888647 a.u.
Potential Energy= -129.97403104 a.u.
Virial Ratio = -2.00086606