(1s 2 2s 2 2p 3 4d 1 ) 5 D Cl 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5242.
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 | 2.918052 | 1.22525926 |
| 2 | 4d | 2.544240 | -1.79586002 |
| 3 | 3d | 7.544204 | .04822461 |
| 4 | 4d | 5.591426 | .04815872 |
| 5 | 5d | 26.652229 | -.00014869 |
| ORB.ENERGY,a.u. | -3.261500 | ||
| NORM | 1.000001 | < R > | 1.995645 | < R2 > | 4.566712 | < 1/R > | .669144 | < 1/R**2 > | .749951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.771102 | 1.26867166 |
| 2 | 3p | 8.841181 | -.35053219 |
| 3 | 4p | 11.203801 | .07547581 |
| 4 | 5p | 21.834396 | .00337801 |
| 5 | 4p | 4.637645 | .00520930 |
| 6 | 5p | 13.976611 | -.00074738 |
| 7 | 5p | 4.238241 | -.00206183 |
| ORB.ENERGY,a.u. | -18.857000 | ||
| NORM | 1.000000 | < R > | .361838 | < R2 > | .159299 | < 1/R > | 3.514499 | < 1/R**2 > | 16.829097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.371580 | .41947768 |
| 2 | 2s | 7.398123 | -.86588169 |
| 3 | 3s | 7.171946 | -.29004117 |
| 4 | 4s | 28.957929 | .00190520 |
| 5 | 3s | 15.567436 | .01611292 |
| 6 | 5s | 7.346761 | -.01398427 |
| ORB.ENERGY,a.u. | -18.579000 | ||
| NORM | 1.000000 | < R > | .412563 | < R2 > | .199789 | < 1/R > | 3.554736 | < 1/R**2 > | 51.426489 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.181204 | .94115064 |
| 2 | 1s | 25.220391 | .05649450 |
| 3 | 2s | 14.515574 | .01863379 |
| 4 | 3s | 20.365687 | -.01477565 |
| 5 | 4s | 30.978579 | .00269767 |
| 6 | 5s | 59.173375 | .00009392 |
| 7 | 5s | 12.028414 | .00047189 |
| ORB.ENERGY,a.u. | -114.870000 |
| NORM | 1.000000 | < R > | .090889 | < R2 > | .011078 | < 1/R > | 16.606615 | < 1/R**2 > | 555.409983 |
Total Energy= -403.90510868 a.u.
Kinetic Energy= 403.92992563 a.u.
Potential Energy= -807.83503430 a.u.
Virial Ratio = -1.99993856