(1s 2 2s 2 2p 1 3d 1 ) 3 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 4.162791 | .94987301 |
| 2 | 3d | 7.982771 | .03118557 |
| 3 | 4d | 3.598633 | .04036234 |
| 4 | 5d | 11.074823 | -.00169565 |
| 5 | 5d | 3.467513 | -.00750792 |
| 6 | 4d | 45.874252 | .00009491 |
| 7 | 5d | 64.227292 | -.00003982 |
| ORB.ENERGY,a.u. | -8.236900 | ||
| NORM | 1.000000 | < R > | .839759 | < R2 > | .810026 | < 1/R > | 1.399144 | < 1/R**2 > | 2.372706 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.115064 | 1.10301754 |
| 2 | 3p | 8.629109 | -.11278511 |
| 3 | 2p | 18.224538 | .00956303 |
| 4 | 5p | 21.865066 | .00156899 |
| 5 | 5p | 43.876988 | -.00007766 |
| 6 | 3p | 3.597656 | -.00042940 |
| ORB.ENERGY,a.u. | -22.729000 | ||
| NORM | 1.000000 | < R > | .342734 | < R2 > | .142042 | < 1/R > | 3.683535 | < 1/R**2 > | 18.331788 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.587258 | .38307726 |
| 2 | 2s | 6.549151 | -.81239701 |
| 3 | 3s | 9.456704 | -.28393631 |
| 4 | 4s | 31.747689 | .00115045 |
| 5 | 5s | 18.355641 | -.00925279 |
| 6 | 5s | 7.242794 | .01306674 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397547 | < R2 > | .184978 | < 1/R > | 3.699146 | < 1/R**2 > | 55.332493 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.193616 | .93642395 |
| 2 | 1s | 24.890931 | .06072118 |
| 3 | 2s | 14.911676 | .02025659 |
| 4 | 3s | 18.244762 | -.01497417 |
| 5 | 4s | 82.088455 | -.00006320 |
| 6 | 5s | 39.115453 | .00065772 |
| 7 | 5s | 9.844281 | .00005789 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646720 | < 1/R**2 > | 557.500814 |
Total Energy= -367.67678968 a.u.
Kinetic Energy= 367.65832270 a.u.
Potential Energy= -735.33511237 a.u.
Virial Ratio = -2.00005023