(1s 2 2s 2 2p 4 4d 1 ) 2 F Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 2.606691 | 1.28169962 |
| 2 | 4d | 2.278676 | -1.82734723 |
| 3 | 3d | 7.745482 | .03559800 |
| 4 | 4d | 5.519604 | .04083573 |
| 5 | 5d | 28.612883 | -.00007244 |
| ORB.ENERGY,a.u. | -2.621700 | ||
| NORM | 1.000000 | < R > | 2.232443 | < R2 > | 5.721054 | < 1/R > | .600000 | < 1/R**2 > | .605425 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.039097 | 1.13465138 |
| 2 | 3p | 6.811208 | -.21307816 |
| 3 | 2p | 12.835667 | .07446262 |
| 4 | 4p | 15.226891 | .01192231 |
| 5 | 5p | 41.627586 | -.00012634 |
| 6 | 5p | 4.409503 | -.00068303 |
| ORB.ENERGY,a.u. | -16.043000 | ||
| NORM | 1.000000 | < R > | .374424 | < R2 > | .171441 | < 1/R > | 3.416338 | < 1/R**2 > | 16.005818 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.486776 | .40545142 |
| 2 | 2s | 7.285174 | -.85593673 |
| 3 | 3s | 6.733394 | -.30062395 |
| 4 | 4s | 18.040030 | .00602826 |
| 5 | 3s | 19.784672 | .00821761 |
| 6 | 5s | 36.986013 | .00056692 |
| 7 | 5s | 5.624935 | -.00247770 |
| 8 | 4s | 3.653169 | .00061932 |
| 9 | 2s | 95.605243 | .00000532 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .420952 | < R2 > | .208441 | < 1/R > | 3.480279 | < 1/R**2 > | 49.458264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160012 | .92045077 |
| 2 | 1s | 23.356694 | .07584830 |
| 3 | 2s | 10.413582 | .02023003 |
| 4 | 3s | 12.728510 | -.02016724 |
| 5 | 4s | 15.488920 | .00891897 |
| 6 | 5s | 41.289187 | .00081171 |
| 7 | 4s | 102.970104 | -.00002580 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011119 | < 1/R > | 16.590483 | < 1/R**2 > | 554.574102 |
Total Energy= -419.97168817 a.u.
Kinetic Energy= 419.95950916 a.u.
Potential Energy= -839.93119732 a.u.
Virial Ratio = -2.00002900