(1s 2 2s 2 2p 6 3s 1 4d 1 ) 1 D Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | 1.433782 | 2.61046896 |
| 2 | 4d | 1.550122 | -3.07646646 |
| 3 | 5d | 2.329440 | -.20880809 |
| 4 | 4d | 5.118750 | .07806557 |
| 5 | 3d | 7.238884 | .03101897 |
| 6 | 5d | .798817 | -.00059422 |
| 7 | 5d | 28.457445 | -.00003156 |
| 8 | 3d | 16.087934 | .00003903 |
| ORB.ENERGY,a.u. | -1.203400 | ||
| NORM | 1.000001 | < R > | 3.202554 | < R2 > | 11.849176 | < 1/R > | .428895 | < 1/R**2 > | .325853 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.768524 | -.11210466 |
| 2 | 1s | 6.359465 | .04688129 |
| 3 | 1s | 14.028388 | .12833302 |
| 4 | 2s | 5.756593 | -.52246240 |
| 5 | 3s | 2.823732 | .86576372 |
| 6 | 4s | 3.816459 | .33073508 |
| 7 | 5s | 19.132277 | -.00474467 |
| 8 | 4s | 7.492934 | .03627482 |
| 9 | 3s | 62.665182 | -.00001627 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.294499 | < R2 > | 1.897923 | < 1/R > | 1.063919 | < 1/R**2 > | 6.739399 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.647566 | .44448299 |
| 2 | 3p | 7.653160 | .48797159 |
| 3 | 5p | 5.402602 | .01021559 |
| 4 | 4p | 6.377993 | .16003122 |
| 5 | 2p | 21.306218 | .00284939 |
| 6 | 5p | 40.061801 | -.00015203 |
| 7 | 3p | 87.313538 | .00000268 |
| 8 | 3p | 1.162741 | -.00007599 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .402123 | < R2 > | .200076 | < 1/R > | 3.222471 | < 1/R**2 > | 14.438531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.658897 | .38084425 |
| 2 | 2s | 7.078992 | -.83240972 |
| 3 | 3s | 6.212959 | -.30372655 |
| 4 | 4s | 28.498805 | .00196378 |
| 5 | 3s | 16.239029 | .00913598 |
| 6 | 2s | 3.339796 | -.01180300 |
| 7 | 5s | 72.589609 | .00001503 |
| 8 | 4s | 1.290731 | -.00016837 |
| 9 | 5s | 1.312746 | .00012730 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .439352 | < R2 > | .228420 | < 1/R > | 3.331293 | < 1/R**2 > | 45.627380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580334 | 1.01106333 |
| 2 | 2s | 20.554513 | -.01842176 |
| 3 | 3s | 15.151245 | .01696473 |
| 4 | 4s | 60.310069 | -.00039706 |
| 5 | 4s | 8.470863 | .00135063 |
| 6 | 5s | 77.075230 | .00010886 |
| 7 | 5s | 8.734280 | -.00052509 |
| 8 | 2s | 28.685073 | -.00344863 |
| 9 | 2s | 147.669917 | .00000335 |
| 10 | 3s | 1.851168 | -.00000833 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091259 | < R2 > | .011190 | < 1/R > | 16.564035 | < 1/R**2 > | 553.207536 |
Total Energy= -450.18857476 a.u.
Kinetic Energy= 450.13407951 a.u.
Potential Energy= -900.32265427 a.u.
Virial Ratio = -2.00012106