(1s 2 2s 2 2p 5 5d 1 ) 3 D Cl 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.213556 | 1.18390070 |
| 2 | 4d | 1.686371 | -4.24518805 |
| 3 | 5d | 1.607456 | 3.81251476 |
| 4 | 3d | 5.429163 | .06076600 |
| 5 | 5d | 8.080767 | -.01432992 |
| 6 | 4d | 15.895374 | .00073418 |
| 7 | 5d | 1.355467 | -.05110879 |
| 8 | 3d | 21.864117 | .00015240 |
| ORB.ENERGY,a.u. | -1.319800 | ||
| NORM | 1.000000 | < R > | 4.160631 | < R2 > | 19.689134 | < 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 | 13.623475 | .39110786 |
| 2 | 2s | 7.164714 | -.84209538 |
| 3 | 3s | 6.487639 | -.30489520 |
| 4 | 4s | 18.757263 | .00503130 |
| 5 | 3s | 20.813564 | .00669140 |
| 6 | 5s | 35.725659 | .00047463 |
| 7 | 5s | 5.474757 | -.00347333 |
| 8 | 4s | 3.789230 | .00210079 |
| 9 | 3s | 2.801526 | -.00090768 |
| 10 | 2s | 72.756926 | .00001593 |
| ORB.ENERGY,a.u. | -15.351000 | ||
| NORM | 1.000000 | < R > | .429455 | < R2 > | .217437 | < 1/R > | 3.408357 | < 1/R**2 > | 47.585848 |
| 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= -433.33225390 a.u.
Kinetic Energy= 433.32547446 a.u.
Potential Energy= -866.65772836 a.u.
Virial Ratio = -2.00001565