(1s 2 2s 2 2p 1 ) 2 P F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2121.
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 | 2p- electron | |
| 1 | 2p | 3.096401 | .88683721 |
| 2 | 2p | 5.466350 | .14512966 |
| 3 | 3p | 8.341153 | -.01789582 |
| 4 | 4p | 2.493363 | .01186225 |
| 5 | 4p | 16.780264 | -.00056725 |
| 6 | 5p | 2.417403 | -.00355564 |
| ORB.ENERGY,a.u. | -4.193100 | ||
| NORM | 1.000000 | < R > | .765515 | < R2 > | .714943 | < 1/R > | 1.668149 | < 1/R**2 > | 3.817428 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.351115 | .35533001 |
| 2 | 2s | 3.529924 | -.86371058 |
| 3 | 3s | 3.431271 | -.25548490 |
| 4 | 4s | 9.861763 | .01401507 |
| 5 | 3s | 10.572116 | .01496892 |
| 6 | 5s | 3.346695 | -.01269242 |
| 7 | 5s | 18.796449 | .00093220 |
| 8 | 3s | 1.826606 | .00055102 |
| 9 | 3s | 29.967873 | -.00007814 |
| ORB.ENERGY,a.u. | -4.533500 | ||
| NORM | 1.000000 | < R > | .842897 | < R2 > | .835099 | < 1/R > | 1.712428 | < 1/R**2 > | 11.880247 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.401550 | .00129822 |
| 2 | 1s | 8.053179 | .85138307 |
| 3 | 1s | 12.619056 | .14406031 |
| 4 | 2s | 11.046382 | .02083661 |
| 5 | 3s | 9.794075 | -.01581759 |
| 6 | 4s | 15.724745 | .00477082 |
| 7 | 5s | 28.589690 | .00029333 |
| ORB.ENERGY,a.u. | -30.269000 |
| NORM | 1.000000 | < R > | .174826 | < R2 > | .041063 | < 1/R > | 8.657602 | < 1/R**2 > | 151.554053 |
Total Energy= -92.12676727 a.u.
Kinetic Energy= 92.12677073 a.u.
Potential Energy= -184.25353800 a.u.
Virial Ratio = -1.99999996