(1s 2 2s 2 2p 4 3d 1 ) 2 P Cl 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | 3d- electron | |
| 1 | 3d | 3.108525 | 1.07151135 |
| 2 | 3d | 8.246598 | .02475834 |
| 3 | 4d | 4.000047 | -.08834578 |
| 4 | 5d | 25.034701 | -.00012692 |
| 5 | 5d | 2.882469 | .00688103 |
| ORB.ENERGY,a.u. | -4.597900 | ||
| NORM | 1.000000 | < R > | 1.118087 | < R2 > | 1.440512 | < 1/R > | 1.057067 | < 1/R**2 > | 1.369010 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.034394 | 1.14383197 |
| 2 | 3p | 6.826359 | -.22134973 |
| 3 | 2p | 12.878547 | .07280431 |
| 4 | 5p | 42.088893 | -.00011498 |
| 5 | 4p | 15.195335 | .01196964 |
| ORB.ENERGY,a.u. | -15.408000 | ||
| NORM | 1.000000 | < R > | .374613 | < R2 > | .171693 | < 1/R > | 3.415672 | < 1/R**2 > | 16.002581 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.506134 | .40402828 |
| 2 | 2s | 7.286703 | -.85337959 |
| 3 | 3s | 6.761491 | -.29950368 |
| 4 | 4s | 18.075125 | .00767096 |
| 5 | 3s | 21.034798 | .00776870 |
| 6 | 5s | 35.214804 | .00049430 |
| 7 | 5s | 6.363292 | -.00698694 |
| 8 | 2s | 64.159690 | .00002917 |
| ORB.ENERGY,a.u. | -16.930000 | ||
| NORM | 1.000000 | < R > | .421651 | < R2 > | .209251 | < 1/R > | 3.475245 | < 1/R**2 > | 49.331687 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.160012 | .92045145 |
| 2 | 1s | 23.357269 | .07584649 |
| 3 | 2s | 10.414756 | .02022867 |
| 4 | 3s | 12.730963 | -.02016362 |
| 5 | 4s | 15.490326 | .00891749 |
| 6 | 5s | 41.316282 | .00081304 |
| 7 | 4s | 103.057477 | -.00002516 |
| ORB.ENERGY,a.u. | -112.130000 |
| NORM | 1.000000 | < R > | .091028 | < R2 > | .011119 | < 1/R > | 16.590510 | < 1/R**2 > | 554.575830 |
Total Energy= -422.05468918 a.u.
Kinetic Energy= 421.93573205 a.u.
Potential Energy= -843.99042123 a.u.
Virial Ratio = -2.00028193