(1s 2 2s 2 2p 4 4d 1 ) 4 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 2.613140 | 1.26147403 |
| 2 | 4d | 2.281219 | -1.81419014 |
| 3 | 3d | 7.535975 | .04098933 |
| 4 | 4d | 5.443052 | .04279248 |
| 5 | 5d | 26.720648 | -.00010107 |
| ORB.ENERGY,a.u. | -2.626500 | ||
| NORM | 1.000000 | < R > | 2.226408 | < R2 > | 5.691755 | < 1/R > | .602500 | < 1/R**2 > | .612589 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.034744 | 1.13278271 |
| 2 | 3p | 6.796433 | -.21193695 |
| 3 | 2p | 12.925516 | .07375342 |
| 4 | 4p | 15.355149 | .01416276 |
| 5 | 5p | 18.409813 | -.00059952 |
| 6 | 5p | 4.313060 | -.00070396 |
| 7 | 4p | 68.436320 | .00002213 |
| ORB.ENERGY,a.u. | -16.048000 | ||
| NORM | 1.000000 | < R > | .374474 | < R2 > | .171488 | < 1/R > | 3.415952 | < 1/R**2 > | 16.002689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.487155 | .40543047 |
| 2 | 2s | 7.284775 | -.85591606 |
| 3 | 3s | 6.733379 | -.30058156 |
| 4 | 4s | 18.035405 | .00591898 |
| 5 | 3s | 19.726122 | .00827891 |
| 6 | 5s | 37.023100 | .00056614 |
| 7 | 5s | 5.628146 | -.00248299 |
| 8 | 4s | 3.660348 | .00062204 |
| 9 | 2s | 96.294833 | .00000517 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420956 | < R2 > | .208444 | < 1/R > | 3.480249 | < 1/R**2 > | 49.457387 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160012 | .92045113 |
| 2 | 1s | 23.356984 | .07584739 |
| 3 | 2s | 10.414997 | .02022836 |
| 4 | 3s | 12.729808 | -.02016522 |
| 5 | 4s | 15.489262 | .00891824 |
| 6 | 5s | 41.301728 | .00081216 |
| 7 | 4s | 103.016039 | -.00002555 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011119 | < 1/R > | 16.590502 | < 1/R**2 > | 554.575118 |
Total Energy= -419.97171734 a.u.
Kinetic Energy= 419.96422533 a.u.
Potential Energy= -839.93594267 a.u.
Virial Ratio = -2.00001784