(1s 2 2s 1 5s 1 ) 3 S Cl 13+
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 | 9.239549 | .16335227 |
| 2 | 2s | 2.433497 | -6.13776982 |
| 3 | 3s | 3.395860 | 9.32415560 |
| 4 | 4s | 2.902766 | -9.43723007 |
| 5 | 5s | 2.852617 | 7.30728561 |
| 6 | 5s | 12.337407 | .00223611 |
| 7 | 1s | 21.906576 | .00582964 |
| 8 | 4s | 56.182611 | -.00005440 |
| 9 | 5s | 2.188382 | .00251695 |
| ORB.ENERGY,a.u. | -4.098300 | ||
| NORM | .999999 | < R > | 2.570208 | < R2 > | 7.394289 | < 1/R > | .574015 | < 1/R**2 > | 3.271768 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.794483 | .43770922 |
| 2 | 2s | 7.462428 | -.81717738 |
| 3 | 3s | 8.867807 | -.30531838 |
| 4 | 5s | 15.236861 | -.02037345 |
| 5 | 4s | 29.913600 | .00515861 |
| 6 | 5s | 39.479828 | -.00124248 |
| 7 | 4s | 99.690873 | .00001810 |
| ORB.ENERGY,a.u. | -29.235000 | ||
| NORM | 1.000000 | < R > | .381242 | < R2 > | .169513 | < 1/R > | 3.878074 | < 1/R**2 > | 60.575441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395216 | .93940717 |
| 2 | 1s | 25.892122 | .04785738 |
| 3 | 2s | 20.331381 | .01682048 |
| 4 | 3s | 12.009397 | .00144351 |
| 5 | 4s | 67.993832 | -.00041632 |
| 6 | 5s | 90.634985 | .00015201 |
| 7 | 5s | 4.134882 | .00012983 |
| 8 | 4s | 1.730003 | -.00006357 |
| 9 | 3s | 1.402958 | -.00007353 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090338 | < R2 > | .010919 | < 1/R > | 16.673884 | < 1/R**2 > | 558.969408 |
Total Energy= -312.17616207 a.u.
Kinetic Energy= 312.18386736 a.u.
Potential Energy= -624.36002943 a.u.
Virial Ratio = -1.99997532