(1s 2 4d 1 ) 2 D P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 3.406229 | 1.80239042 |
| 2 | 4d | 3.239803 | -2.30741552 |
| 3 | 3d | 18.262598 | .00031262 |
| 4 | 4d | 11.607573 | .00035095 |
| 5 | 5d | 2.920499 | .00234819 |
| ORB.ENERGY,a.u. | -5.285700 | ||
| NORM | 1.000000 | < R > | 1.614546 | < R2 > | 2.979431 | < 1/R > | .813250 | < 1/R**2 > | 1.059312 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.430940 | .93850358 |
| 2 | 1s | 22.827751 | .04913479 |
| 3 | 2s | 17.520050 | .01708198 |
| 4 | 3s | 13.294352 | .00073798 |
| 5 | 4s | 51.040411 | -.00068332 |
| 6 | 5s | 63.233750 | .00022484 |
| 7 | 3s | 88.029368 | -.00002819 |
| ORB.ENERGY,a.u. | -102.650000 |
| NORM | 1.000000 | < R > | .102573 | < R2 > | .014074 | < 1/R > | 14.687229 | < 1/R**2 > | 433.874756 |
Total Energy= -221.02475546 a.u.
Kinetic Energy= 221.01927171 a.u.
Potential Energy= -442.04402717 a.u.
Virial Ratio = -2.00002481