(1s 1 4s 1 ) 1 S S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 2.545040 | 1.05443983 |
| 2 | 2s | 4.940103 | -2.76608493 |
| 3 | 3s | 3.717553 | 5.65109508 |
| 4 | 4s | 3.730757 | -5.06726794 |
| 5 | 5s | 10.896832 | .03233933 |
| 6 | 2s | 9.069886 | .19487291 |
| 7 | 4s | 30.945650 | .00058922 |
| 8 | 2s | 20.581595 | .00105198 |
| ORB.ENERGY,a.u. | -7.564000 | ||
| NORM | 1.000003 | < R > | 1.579982 | < R2 > | 2.810537 | < 1/R > | .873755 | < 1/R**2 > | 3.126251 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.015812 | 1.00309334 |
| 2 | 2s | 2.861510 | .12638247 |
| 3 | 3s | 8.078196 | -.08266614 |
| 4 | 4s | 10.348413 | .01984087 |
| 5 | 5s | 3.924066 | -.11431297 |
| 6 | 5s | 22.972359 | -.00014065 |
| 7 | 4s | 2.218495 | -.00087637 |
| ORB.ENERGY,a.u. | -127.560000 |
| NORM | 1.000000 | < R > | .096165 | < R2 > | .017698 | < 1/R > | 16.069022 | < 1/R**2 > | 515.979480 |
Total Energy= -135.12946847 a.u.
Kinetic Energy= 135.10963296 a.u.
Potential Energy= -270.23910143 a.u.
Virial Ratio = -2.00014681