(1s 2 2s 2 2p 1 5d 1 ) 1 F Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 2.380178 | 3.61568396 |
| 2 | 4d | 2.402643 | -9.06398907 |
| 3 | 5d | 2.416110 | 6.11667922 |
| 4 | 3d | 7.097525 | .02472547 |
| 5 | 5d | 10.572061 | -.00730303 |
| 6 | 5d | 1.754128 | .01824225 |
| 7 | 4d | 31.246516 | .00007660 |
| 8 | 4d | 1.230566 | -.00442290 |
| 9 | 3d | 43.013724 | .00001160 |
| ORB.ENERGY,a.u. | -2.899500 | ||
| NORM | .999999 | < R > | 2.850772 | < R2 > | 9.230074 | < 1/R > | .488186 | < 1/R**2 > | .487889 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.145344 | 1.08231940 |
| 2 | 3p | 8.633517 | -.09472032 |
| 3 | 2p | 17.623798 | .01171769 |
| 4 | 5p | 21.743294 | .00240076 |
| 5 | 5p | 5.528397 | .00150293 |
| 6 | 4p | 1.876013 | -.00022760 |
| ORB.ENERGY,a.u. | -23.570000 | ||
| NORM | 1.000000 | < R > | .342042 | < R2 > | .141477 | < 1/R > | 3.690424 | < 1/R**2 > | 18.394846 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.555767 | .38566426 |
| 2 | 2s | 6.584526 | -.81476644 |
| 3 | 3s | 9.399644 | -.28566799 |
| 4 | 4s | 31.697064 | .00117593 |
| 5 | 5s | 18.380994 | -.00920938 |
| 6 | 5s | 7.311868 | .01713958 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396102 | < R2 > | .183484 | < 1/R > | 3.712331 | < 1/R**2 > | 55.693081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.196206 | .93695997 |
| 2 | 1s | 24.921569 | .06020838 |
| 3 | 2s | 14.925069 | .02011863 |
| 4 | 3s | 18.265664 | -.01485653 |
| 5 | 4s | 82.075874 | -.00006404 |
| 6 | 5s | 39.010693 | .00065607 |
| 7 | 4s | 8.042334 | .00004652 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646682 | < 1/R**2 > | 557.497525 |
Total Energy= -362.35947755 a.u.
Kinetic Energy= 362.32160558 a.u.
Potential Energy= -724.68108313 a.u.
Virial Ratio = -2.00010453