(1s 2 2s 2 2p 5 5d 1 ) 1 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 3d | 2.162668 | 1.24470042 |
| 2 | 4d | 1.689130 | -4.37685096 |
| 3 | 5d | 1.611855 | 3.86245807 |
| 4 | 3d | 4.941772 | .07085643 |
| 5 | 5d | 7.306403 | -.01776537 |
| 6 | 4d | 13.667635 | .00232147 |
| 7 | 5d | 1.383218 | -.04061401 |
| 8 | 3d | 19.073252 | .00038578 |
| ORB.ENERGY,a.u. | -1.319800 | ||
| NORM | 1.000002 | < R > | 4.160633 | < R2 > | 19.689133 | < 1/R > | .339352 | < 1/R**2 > | .248776 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.883400 | 1.18707842 |
| 2 | 3p | 6.945483 | -.25363888 |
| 3 | 2p | 13.033557 | .06618516 |
| 4 | 4p | 15.796861 | .00940973 |
| 5 | 5p | 39.368939 | -.00014196 |
| 6 | 5p | 4.633602 | .00028228 |
| ORB.ENERGY,a.u. | -14.309000 | ||
| NORM | 1.000000 | < R > | .387046 | < R2 > | .184090 | < 1/R > | 3.323675 | < 1/R**2 > | 15.244554 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.608966 | .39173292 |
| 2 | 2s | 7.171157 | -.84283111 |
| 3 | 3s | 6.481908 | -.30543305 |
| 4 | 4s | 18.394508 | .00532907 |
| 5 | 3s | 20.680186 | .00669640 |
| 6 | 5s | 35.534965 | .00057297 |
| 7 | 5s | 5.593704 | -.00297264 |
| 8 | 4s | 3.942144 | .00123562 |
| 9 | 3s | 2.784074 | -.00035053 |
| 10 | 2s | 83.375665 | .00000966 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429455 | < R2 > | .217437 | < 1/R > | 3.408357 | < 1/R**2 > | 47.585845 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.184025 | .92695565 |
| 2 | 1s | 23.718939 | .06885606 |
| 3 | 2s | 10.142156 | .02130408 |
| 4 | 3s | 12.568177 | -.02159545 |
| 5 | 4s | 15.577724 | .01061099 |
| 6 | 5s | 40.658221 | .00070454 |
| 7 | 4s | 92.655012 | -.00003552 |
| ORB.ENERGY,a.u. | -109.540000 |
| NORM | 1.000000 | < R > | .091151 | < R2 > | .011157 | < 1/R > | 16.576386 | < 1/R**2 > | 553.846386 |
Total Energy= -433.33225605 a.u.
Kinetic Energy= 433.32547706 a.u.
Potential Energy= -866.65773311 a.u.
Virial Ratio = -2.00001564