(1s 2 2s 2 2p 1 5d 1 ) 1 D Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 3.152627 | 1.38885865 |
| 2 | 4d | 2.553484 | -4.41003525 |
| 3 | 5d | 2.404739 | 3.72819221 |
| 4 | 3d | 6.824574 | .04174847 |
| 5 | 5d | 1.925172 | -.01872860 |
| 6 | 5d | 10.104466 | -.00531044 |
| 7 | 4d | 41.180347 | .00003615 |
| 8 | 3d | 82.939086 | .00000113 |
| ORB.ENERGY,a.u. | -2.951900 | ||
| NORM | 1.000000 | < R > | 2.800796 | < R2 > | 8.901441 | < 1/R > | .496131 | < 1/R**2 > | .507682 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.144391 | 1.07752113 |
| 2 | 3p | 8.597714 | -.09120393 |
| 3 | 2p | 17.497404 | .01224588 |
| 4 | 5p | 22.002117 | .00223943 |
| 5 | 5p | 8.405992 | .00236621 |
| 6 | 4p | 1.183057 | .00006451 |
| 7 | 3p | 58.245734 | .00000818 |
| ORB.ENERGY,a.u. | -23.622000 | ||
| NORM | 1.000000 | < R > | .342308 | < R2 > | .141659 | < 1/R > | 3.687178 | < 1/R**2 > | 18.363253 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.555648 | .38566551 |
| 2 | 2s | 6.584639 | -.81477135 |
| 3 | 3s | 9.398127 | -.28572566 |
| 4 | 4s | 31.685293 | .00117342 |
| 5 | 5s | 18.398822 | -.00919642 |
| 6 | 5s | 7.317485 | .01719698 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396101 | < R2 > | .183483 | < 1/R > | 3.712311 | < 1/R**2 > | 55.692182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.196377 | .93697164 |
| 2 | 1s | 24.920550 | .06019959 |
| 3 | 2s | 14.918831 | .02011773 |
| 4 | 3s | 18.260314 | -.01485920 |
| 5 | 4s | 82.075029 | -.00006405 |
| 6 | 5s | 39.011384 | .00065593 |
| 7 | 4s | 8.029124 | .00004604 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646727 | < 1/R**2 > | 557.499949 |
Total Energy= -362.35991606 a.u.
Kinetic Energy= 362.37397646 a.u.
Potential Energy= -724.73389252 a.u.
Virial Ratio = -1.99996120