(1s 2 2s 2 5d 1 ) 2 D O 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 1.060273 | 1.36130107 |
| 2 | 4d | .864292 | -4.05430793 |
| 3 | 5d | .796140 | 3.46381099 |
| 4 | 3d | 3.266742 | .02600818 |
| 5 | 4d | .624425 | -.08998695 |
| 6 | 5d | 2.958359 | .01427418 |
| 7 | 4d | 7.855710 | -.00054529 |
| ORB.ENERGY,a.u. | -.327930 | ||
| NORM | 1.000000 | < R > | 8.386566 | < R2 > | 79.919581 | < 1/R > | .167040 | < 1/R**2 > | .058745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.585989 | .35324561 |
| 2 | 2s | 3.115909 | -.85614268 |
| 3 | 3s | 3.333567 | -.24726691 |
| 4 | 4s | 9.217981 | .02149153 |
| 5 | 3s | 10.317853 | .01199271 |
| 6 | 5s | 3.210634 | -.02371870 |
| 7 | 5s | 18.674659 | .00092721 |
| 8 | 3s | 1.563506 | .00036871 |
| ORB.ENERGY,a.u. | -3.901400 | ||
| NORM | 1.000000 | < R > | .936994 | < R2 > | 1.028747 | < 1/R > | 1.536610 | < 1/R**2 > | 9.511066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340321 | .73224506 |
| 2 | 1s | 10.647017 | .20417568 |
| 3 | 2s | 7.613435 | .09900955 |
| 4 | 3s | 8.486537 | -.02363411 |
| 5 | 4s | 15.200562 | .00450302 |
| 6 | 5s | 9.532299 | -.00170066 |
| ORB.ENERGY,a.u. | -24.243000 |
| NORM | 1.000000 | < R > | .197201 | < R2 > | .052218 | < 1/R > | 7.674651 | < 1/R**2 > | 119.144817 |
Total Energy= -68.58671041 a.u.
Kinetic Energy= 68.58562988 a.u.
Potential Energy= -137.17234030 a.u.
Virial Ratio = -2.00001575