(1s 1 4s 1 ) 1 S C 4+
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 | .946650 | .87301049 |
| 2 | 2s | 1.411962 | -3.34147437 |
| 3 | 3s | 1.258570 | 7.12119203 |
| 4 | 4s | 1.272822 | -5.55962061 |
| 5 | 5s | 2.452348 | .07137955 |
| 6 | 3s | 6.701578 | .02006334 |
| 7 | 2s | 9.865732 | .00288109 |
| 8 | 4s | 12.610395 | .00060568 |
| ORB.ENERGY,a.u. | -.815720 | ||
| NORM | .999999 | < R > | 4.642756 | < R2 > | 24.257976 | < 1/R > | .294978 | < 1/R**2 > | .328037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .685386 | .21925852 |
| 2 | 1s | 6.007836 | .99343089 |
| 3 | 2s | 2.297785 | -.11825409 |
| 4 | 3s | .991980 | -.19186855 |
| 5 | 4s | 1.869886 | .05385899 |
| 6 | 5s | 2.843094 | -.02234421 |
| 7 | 5s | 19.227557 | .00002937 |
| ORB.ENERGY,a.u. | -17.691000 |
| NORM | 1.000000 | < R > | .255538 | < R2 > | .123974 | < 1/R > | 6.022809 | < 1/R**2 > | 72.476013 |
Total Energy= -18.81238160 a.u.
Kinetic Energy= 18.80682536 a.u.
Potential Energy= -37.61920696 a.u.
Virial Ratio = -2.00029544