(1s 1 3s 1 ) 1 S C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 3.146289 | .20516267 |
| 2 | 2s | 1.934854 | -1.09114887 |
| 3 | 3s | 1.716244 | 2.06666388 |
| 4 | 4s | 3.586436 | -.31848422 |
| 5 | 5s | 2.860620 | -.26511060 |
| 6 | 3s | 3.961417 | -.10750298 |
| 7 | 5s | 7.515968 | -.01179376 |
| 8 | 4s | 1.549895 | .04506226 |
| 9 | 2s | 47.974444 | .00000298 |
| 10 | 4s | .875706 | -.00066621 |
| ORB.ENERGY,a.u. | -1.462900 | ||
| NORM | 1.000000 | < R > | 2.574480 | < R2 > | 7.523340 | < 1/R > | .510494 | < 1/R**2 > | .717266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .623868 | .25776554 |
| 2 | 1s | 6.001833 | 1.04713198 |
| 3 | 2s | 2.244359 | -.15236872 |
| 4 | 3s | .954830 | -.11923376 |
| 5 | 3s | 2.783629 | -.01164356 |
| 6 | 1s | 6.012835 | -.04630645 |
| 7 | 4s | 1.881346 | .02020727 |
| 8 | 5s | .797524 | -.00799797 |
| 9 | 5s | 8.167699 | -.00111963 |
| ORB.ENERGY,a.u. | -17.463000 |
| NORM | 1.000000 | < R > | .256116 | < R2 > | .117006 | < 1/R > | 6.058509 | < 1/R**2 > | 73.215921 |
Total Energy= -19.46534149 a.u.
Kinetic Energy= 19.45372084 a.u.
Potential Energy= -38.91906233 a.u.
Virial Ratio = -2.00059735