(1s 2 2s 1 4s 1 ) 3 S Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 11.991215 | .17574557 |
| 2 | 2s | 4.131201 | -1.82330285 |
| 3 | 3s | 3.662515 | 5.18637125 |
| 4 | 4s | 3.599143 | -4.27621333 |
| 5 | 5s | 5.872986 | .16685679 |
| 6 | 4s | 10.778657 | -.05055300 |
| 7 | 5s | 32.094981 | .00114306 |
| 8 | 4s | 43.530187 | .00024520 |
| 9 | 5s | 1.724598 | .00016185 |
| ORB.ENERGY,a.u. | -6.481100 | ||
| NORM | .999999 | < R > | 1.627892 | < R2 > | 2.977602 | < 1/R > | .902435 | < 1/R**2 > | 6.478035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.821372 | .43661247 |
| 2 | 2s | 7.446337 | -.81531699 |
| 3 | 3s | 8.881169 | -.30448910 |
| 4 | 5s | 15.415430 | -.02153691 |
| 5 | 4s | 30.475381 | .00454653 |
| 6 | 5s | 40.397890 | -.00108581 |
| 7 | 4s | 105.563730 | .00001471 |
| ORB.ENERGY,a.u. | -28.993000 | ||
| NORM | 1.000000 | < R > | .381232 | < R2 > | .169523 | < 1/R > | 3.879045 | < 1/R**2 > | 60.618769 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.393636 | .93832132 |
| 2 | 1s | 25.516140 | .04952142 |
| 3 | 2s | 19.603495 | .01666400 |
| 4 | 3s | 3.415887 | .00141213 |
| 5 | 4s | 70.169021 | -.00037724 |
| 6 | 5s | 94.309349 | .00013679 |
| 7 | 5s | 16.107326 | .00088748 |
| 8 | 4s | 4.511353 | -.00126759 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090345 | < R2 > | .010921 | < 1/R > | 16.673021 | < 1/R**2 > | 558.922769 |
Total Energy= -314.54165846 a.u.
Kinetic Energy= 314.55849951 a.u.
Potential Energy= -629.10015797 a.u.
Virial Ratio = -1.99994646