(1s 2 2s 2 2p 4 4d 1 ) 4 F Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 2.648460 | 1.21561787 |
| 2 | 4d | 2.287060 | -1.77255290 |
| 3 | 3d | 7.497451 | .04270047 |
| 4 | 4d | 5.474993 | .04576669 |
| 5 | 5d | 25.832270 | -.00011500 |
| ORB.ENERGY,a.u. | -2.640600 | ||
| NORM | 1.000001 | < R > | 2.214526 | < R2 > | 5.630382 | < 1/R > | .605700 | < 1/R**2 > | .619753 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.034068 | 1.13252310 |
| 2 | 3p | 6.795094 | -.21169787 |
| 3 | 2p | 12.926804 | .07378928 |
| 4 | 4p | 15.374310 | .01419605 |
| 5 | 5p | 18.611863 | -.00061030 |
| 6 | 5p | 4.335269 | -.00071669 |
| 7 | 4p | 67.978842 | .00002281 |
| ORB.ENERGY,a.u. | -16.062000 | ||
| NORM | 1.000000 | < R > | .374512 | < R2 > | .171524 | < 1/R > | 3.415633 | < 1/R**2 > | 15.999944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.487209 | .40542411 |
| 2 | 2s | 7.284894 | -.85586169 |
| 3 | 3s | 6.732903 | -.30064686 |
| 4 | 4s | 18.044933 | .00590451 |
| 5 | 3s | 19.725096 | .00827761 |
| 6 | 5s | 37.037631 | .00056459 |
| 7 | 5s | 5.620412 | -.00245237 |
| 8 | 4s | 3.660462 | .00062050 |
| 9 | 2s | 96.148611 | .00000519 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420959 | < R2 > | .208447 | < 1/R > | 3.480218 | < 1/R**2 > | 49.456501 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160012 | .92045142 |
| 2 | 1s | 23.357269 | .07584649 |
| 3 | 2s | 10.416312 | .02022679 |
| 4 | 3s | 12.730840 | -.02016360 |
| 5 | 4s | 15.489347 | .00891803 |
| 6 | 5s | 41.315671 | .00081249 |
| 7 | 4s | 103.046431 | -.00002531 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011119 | < 1/R > | 16.590519 | < 1/R**2 > | 554.576038 |
Total Energy= -419.97162053 a.u.
Kinetic Energy= 419.97833551 a.u.
Potential Energy= -839.94995605 a.u.
Virial Ratio = -1.99998401