(1s 1 5s 1 ) 1 S C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 1.171731 | .46792918 |
| 2 | 2s | 1.156731 | -4.01124017 |
| 3 | 3s | 1.236220 | 7.77454132 |
| 4 | 4s | .942784 | -15.19800351 |
| 5 | 5s | .992423 | 11.99129942 |
| 6 | 2s | 4.268590 | .02967938 |
| 7 | 5s | 12.472182 | .00065443 |
| 8 | 2s | 9.569137 | -.00115973 |
| ORB.ENERGY,a.u. | -.521460 | ||
| NORM | 1.000021 | < R > | 7.310014 | < R2 > | 59.864555 | < 1/R > | .191391 | < 1/R**2 > | .173569 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .287733 | .80703258 |
| 2 | 1s | 6.012907 | .99022340 |
| 3 | 2s | 1.980687 | -.16411368 |
| 4 | 3s | .858350 | -.54274493 |
| 5 | 4s | 3.816627 | .01194948 |
| 6 | 5s | .629294 | -.22377236 |
| 7 | 4s | .374622 | -.09190589 |
| ORB.ENERGY,a.u. | -17.801000 |
| NORM | 1.000000 | < R > | .254684 | < R2 > | .130951 | < 1/R > | 6.011233 | < 1/R**2 > | 72.234793 |
Total Energy= -18.51567870 a.u.
Kinetic Energy= 18.51269334 a.u.
Potential Energy= -37.02837204 a.u.
Virial Ratio = -2.00016126