(1s 2 4s 1 ) 2 S F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 6.878451 | .14643646 |
| 2 | 2s | 2.090376 | -1.52823485 |
| 3 | 3s | 1.789986 | 4.93855771 |
| 4 | 4s | 1.788556 | -4.39707823 |
| 5 | 5s | 2.825817 | .29545105 |
| 6 | 4s | 5.316379 | -.10191105 |
| 7 | 4s | 13.943534 | .00312249 |
| 8 | 5s | 38.858409 | .00006465 |
| 9 | 5s | .730483 | .00020131 |
| ORB.ENERGY,a.u. | -1.608700 | ||
| NORM | 1.000001 | < R > | 3.267732 | < R2 > | 12.012287 | < 1/R > | .451382 | < 1/R**2 > | 1.633605 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.073917 | .84724621 |
| 2 | 1s | 12.437119 | .14973723 |
| 3 | 2s | 10.739586 | .02075216 |
| 4 | 3s | 9.196016 | -.01615931 |
| 5 | 4s | 15.927356 | .00402415 |
| 6 | 5s | 62.212776 | -.00002723 |
| 7 | 5s | 8.795344 | -.00090396 |
| ORB.ENERGY,a.u. | -34.565000 |
| NORM | 1.000000 | < R > | .173965 | < R2 > | .040579 | < 1/R > | 8.686522 | < 1/R**2 > | 152.369705 |
Total Energy= -77.09381814 a.u.
Kinetic Energy= 77.09383105 a.u.
Potential Energy= -154.18764920 a.u.
Virial Ratio = -1.99999983