(1s 2 2s 2 2p 1 4d 1 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 3.489260 | 1.29840443 |
| 2 | 4d | 2.987553 | -1.80289171 |
| 3 | 3d | 7.711362 | .03538225 |
| 4 | 5d | 24.869736 | -.00031321 |
| 5 | 4d | 2.850747 | .00014462 |
| 6 | 5d | 2.289228 | .01398695 |
| 7 | 3d | 1.740857 | -.01362306 |
| 8 | 5d | 10.928450 | -.00342932 |
| ORB.ENERGY,a.u. | -4.594300 | ||
| NORM | 1.000000 | < R > | 1.706192 | < R2 > | 3.333380 | < 1/R > | .776696 | < 1/R**2 > | .989385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.125889 | 1.09504757 |
| 2 | 3p | 8.659538 | -.10600923 |
| 3 | 2p | 17.829637 | .01059825 |
| 4 | 5p | 21.499087 | .00207114 |
| 5 | 5p | 46.491040 | -.00005638 |
| 6 | 4p | 2.803155 | -.00013233 |
| ORB.ENERGY,a.u. | -23.318000 | ||
| NORM | 1.000000 | < R > | .342508 | < R2 > | .141850 | < 1/R > | 3.685752 | < 1/R**2 > | 18.352405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.560960 | .38514975 |
| 2 | 2s | 6.577172 | -.81445902 |
| 3 | 3s | 9.420597 | -.28534482 |
| 4 | 4s | 31.441968 | .00126699 |
| 5 | 5s | 18.376799 | -.00877176 |
| 6 | 5s | 7.220125 | .01608457 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .396400 | < R2 > | .183781 | < 1/R > | 3.709401 | < 1/R**2 > | 55.610873 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.196801 | .93721284 |
| 2 | 1s | 24.935866 | .05999842 |
| 3 | 2s | 14.928554 | .02005126 |
| 4 | 3s | 18.287326 | -.01484041 |
| 5 | 4s | 82.265265 | -.00006331 |
| 6 | 5s | 39.013261 | .00066416 |
| 7 | 5s | 9.660429 | .00004806 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090550 | < R2 > | .010978 | < 1/R > | 16.646711 | < 1/R**2 > | 557.499436 |
Total Energy= -364.03289306 a.u.
Kinetic Energy= 364.01590993 a.u.
Potential Energy= -728.04880300 a.u.
Virial Ratio = -2.00004665