(1s 2 2s 2 2p 1 3d 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3132.
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 | 4.159726 | .94712869 |
| 2 | 3d | 8.151664 | .03685939 |
| 3 | 4d | 3.478728 | .03863311 |
| 4 | 5d | 25.378734 | -.00025894 |
| 5 | 5d | 3.146468 | -.00952950 |
| 6 | 4d | 75.774836 | .00000189 |
| 7 | 4d | 2.271510 | .00195236 |
| ORB.ENERGY,a.u. | -8.210100 | ||
| NORM | 1.000000 | < R > | .837581 | < R2 > | .806910 | < 1/R > | 1.405325 | < 1/R**2 > | 2.399319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.127095 | 1.08240172 |
| 2 | 3p | 8.578040 | -.09900935 |
| 3 | 2p | 17.499755 | .01205681 |
| 4 | 5p | 21.655780 | .00256780 |
| 5 | 5p | 7.232387 | .00755377 |
| ORB.ENERGY,a.u. | -22.703000 | ||
| NORM | 1.000000 | < R > | .343856 | < R2 > | .143192 | < 1/R > | 3.676045 | < 1/R**2 > | 18.274408 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.587660 | .38305378 |
| 2 | 2s | 6.548815 | -.81237992 |
| 3 | 3s | 9.454884 | -.28394311 |
| 4 | 4s | 31.731230 | .00113697 |
| 5 | 5s | 18.388206 | -.00930449 |
| 6 | 5s | 7.253341 | .01312654 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .397555 | < R2 > | .184987 | < 1/R > | 3.699076 | < 1/R**2 > | 55.330377 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.193839 | .93644520 |
| 2 | 1s | 24.891347 | .06070082 |
| 3 | 2s | 14.909631 | .02025478 |
| 4 | 3s | 18.240833 | -.01497421 |
| 5 | 4s | 82.034588 | -.00006334 |
| 6 | 5s | 39.118262 | .00065645 |
| 7 | 5s | 9.821969 | .00005865 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090549 | < R2 > | .010978 | < 1/R > | 16.646800 | < 1/R**2 > | 557.505093 |
Total Energy= -367.67734948 a.u.
Kinetic Energy= 367.63158771 a.u.
Potential Energy= -735.30893719 a.u.
Virial Ratio = -2.00012448