(1s 1 5s 1 ) 3 S Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 11.679051 | .14689306 |
| 2 | 2s | 4.714132 | -2.02198266 |
| 3 | 3s | 3.527195 | 7.89283597 |
| 4 | 4s | 2.973280 | -20.26108678 |
| 5 | 5s | 3.143779 | 15.01714610 |
| 6 | 2s | 8.493524 | .20706499 |
| 7 | 5s | 27.708946 | .00075405 |
| 8 | 4s | 1.747247 | .00838070 |
| 9 | 4s | 39.223680 | .00008742 |
| 10 | 5s | 1.196370 | -.00049336 |
| ORB.ENERGY,a.u. | -5.745800 | ||
| NORM | 1.000000 | < R > | 2.318286 | < R2 > | 6.019046 | < 1/R > | .643414 | < 1/R**2 > | 4.097547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.770341 | .88942382 |
| 2 | 1s | 19.407808 | .10539305 |
| 3 | 2s | 17.313667 | .01065393 |
| 4 | 3s | 17.793994 | -.00512983 |
| 5 | 4s | 14.971254 | -.00003762 |
| 6 | 5s | 22.065070 | .00007116 |
| ORB.ENERGY,a.u. | -144.470000 |
| NORM | 1.000000 | < R > | .088235 | < R2 > | .010381 | < 1/R > | 17.000238 | < 1/R**2 > | 578.017772 |
Total Energy= -149.66795199 a.u.
Kinetic Energy= 149.67695394 a.u.
Potential Energy= -299.34490593 a.u.
Virial Ratio = -1.99993986